Semivolatile Mix, 31-2453, 100:1000 ug/L
Product Code
O2SI-112453-09-5PAK
CAS Number
31 AnalytesProduct Format
Mixture
Matrix
Methylene Chloride
Product Categories
Product Type
Stable Isotope LabelledUnlabelled CAS Number
31 AnalytesShare product
- Product Name: Semivolatile Mix, 31-2453, 100:1000 ug/L
- Product Code: O2SI-112453-09-5PAK
- Brand: o2si
Documentation
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Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
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CAS Number
Alternate CAS Number
Unlabelled CAS Number
Molecular Formula
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Molecular Weight
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Accurate Mass
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SMILES
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InChI
{{ analyteItem.inchi[0].name }}
IUPAC
{{ analyteItem.iupac }}
Acenaphthene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H10
Molecular Weight
154.21
Accurate Mass
154.0783
SMILES
C1Cc2cccc3cccc1c23
InChI
InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2
IUPAC
1,2-dihydroacenaphthylene
Acenaphthene D10
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
C12 2H10
Molecular Weight
164.27
Accurate Mass
164.141
SMILES
[2H]c1c([2H])c2c3c(c([2H])c([2H])c([2H])c3c1[2H])C([2H])([2H])C2([2H])[2H]
InChI
InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/i1D,2D,3D,4D,5D,6D,7D2,8D2
IUPAC
1,1,2,2,3,4,5,6,7,8-decadeuterioacenaphthylene
Acenaphthylene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H8
Molecular Weight
152.19
Accurate Mass
152.0626
SMILES
C1=Cc2cccc3cccc1c23
InChI
InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
IUPAC
acenaphthylene
Anthracene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H10
Molecular Weight
178.23
Accurate Mass
178.0783
SMILES
c1ccc2cc3ccccc3cc2c1
InChI
InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
IUPAC
anthracene
Benz[a]anthracene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H12
Molecular Weight
228.29
Accurate Mass
228.0939
SMILES
c1ccc2cc3c(ccc4ccccc34)cc2c1
InChI
InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H
IUPAC
benzo[a]anthracene
Benzo(a)pyrene D12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
C20 2H12
Molecular Weight
264.38
Accurate Mass
264.1692
SMILES
[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c3c([2H])c([2H])c4c([2H])c([2H])c([2H])c5c([2H])c([2H])c2c3c45
InChI
InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
IUPAC
1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriobenzo[a]pyrene
Benzo(e)pyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H12
Molecular Weight
252.31
Accurate Mass
252.0939
SMILES
C12=CC=CC=C1C3=C4C5=C2C=CC=C5C=CC4=CC=C3
InChI
InChI=1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H
IUPAC
benzo[e]pyrene
Benzo(j)fluoranthene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H12
Molecular Weight
252.31
Accurate Mass
252.0939
SMILES
c1ccc2c3c(ccc2c1)c4cccc5cccc3c45
InChI
InChI=1S/C20H12/c1-2-8-15-13(5-1)11-12-17-16-9-3-6-14-7-4-10-18(19(14)16)20(15)17/h1-12H
IUPAC
Benzo[j]fluoranthene
Benzo(k)fluoranthene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H12
Molecular Weight
252.31
Accurate Mass
252.0939
SMILES
c1ccc2cc3c(cc2c1)c4cccc5cccc3c45
InChI
InChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H
IUPAC
benzo[k]fluoranthene
Benzo[a]pyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H12
Molecular Weight
252.31
Accurate Mass
252.0939
SMILES
c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45
InChI
InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H
IUPAC
benzo[a]pyrene
Benzo[b]fluoranthene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H12
Molecular Weight
252.31
Accurate Mass
252.0939
SMILES
c1ccc2c(c1)c3cccc4c5ccccc5cc2c34
InChI
InChI=1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H
IUPAC
Benzo[b]fluoranthene
Benzo[ghi]perylene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H12
Molecular Weight
276.33
Accurate Mass
276.0939
SMILES
c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56
InChI
InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H
IUPAC
Benzo[g,h,i]perylene
Chrysene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H12
Molecular Weight
228.29
Accurate Mass
228.0939
SMILES
c1ccc2c(c1)ccc3c4ccccc4ccc23
InChI
InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H
IUPAC
chrysene
Chrysene D12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
C18 2H12
Molecular Weight
240.36
Accurate Mass
240.1692
SMILES
[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c3c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c([2H])c23
InChI
InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
IUPAC
1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriochrysene
Dibenzo(a,e)pyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C24 H14
Molecular Weight
302.37
Accurate Mass
302.1096
SMILES
c1ccc2c(c1)cc3c4ccccc4c5cccc6ccc2c3c56
InChI
InChI=1S/C24H14/c1-2-8-17-16(6-1)14-22-19-10-4-3-9-18(19)20-11-5-7-15-12-13-21(17)24(22)23(15)20/h1-14H
IUPAC
Dibenzo[a,e]pyrene
Dibenzo(a,h)anthracene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H14
Molecular Weight
278.35
Accurate Mass
278.1096
SMILES
c1ccc2c(c1)ccc3cc4c(ccc5ccccc45)cc23
InChI
InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H
IUPAC
naphtho[1,2-b]phenanthrene
Dibenzo(a,h)anthracene D14
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
C22 2H14
Molecular Weight
292.43
Accurate Mass
292.1974
SMILES
[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c3c([2H])c4c(c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c45)c([2H])c23
InChI
InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D
IUPAC
1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecadeuterionaphtho[1,2-b]phenanthrene
Dibenzo(A,I)Pyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C24 H14
Molecular Weight
302.37
Accurate Mass
302.1096
SMILES
c1ccc2c(c1)cc3ccc4cc5ccccc5c6ccc2c3c46
InChI
InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-10-18-14-16-6-2-4-8-20(16)22-12-11-21(19)23(17)24(18)22/h1-14H
IUPAC
Dibenzo[a,i]pyrene
Dibenzo(A,L)Pyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C24 H14
Molecular Weight
302.37
Accurate Mass
302.1096
SMILES
c1ccc2c(c1)cc3ccc4cccc5c6ccccc6c2c3c45
InChI
InChI=1S/C24H14/c1-2-8-18-16(6-1)14-17-13-12-15-7-5-11-20-19-9-3-4-10-21(19)24(18)23(17)22(15)20/h1-14H
Dibenzo[a,h]pyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C24 H14
Molecular Weight
302.37
Accurate Mass
302.1096
SMILES
c1ccc2c(c1)cc3ccc4c5ccccc5cc6ccc2c3c46
InChI
InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-12-22-20-8-4-2-6-16(20)14-18-10-11-21(19)23(17)24(18)22/h1-14H
IUPAC
Dibenz[a,h]pyrene
Dibenzo[a,i]pyrene-d14
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
C24 D14
Molecular Weight
316.454
Accurate Mass
316.197
SMILES
[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c3c([2H])c([2H])c4c([2H])c5c([2H])c([2H])c([2H])c([2H])c5c6c([2H])c([2H])c2c3c46
InChI
InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-10-18-14-16-6-2-4-8-20(16)22-12-11-21(19)23(17)24(18)22/h1-14H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D
Fluoranthene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H10
Molecular Weight
202.25
Accurate Mass
202.0783
SMILES
c1ccc2c(c1)c3cccc4cccc2c34
InChI
InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H
IUPAC
fluoranthene
Fluorene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H10
Molecular Weight
166.22
Accurate Mass
166.0783
SMILES
C1c2ccccc2c3ccccc13
InChI
InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2
IUPAC
9H-fluorene
Indeno[1,2,3-cd]pyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H12
Molecular Weight
276.33
Accurate Mass
276.0939
SMILES
c1ccc2c(c1)c3ccc4ccc5cccc6cc2c3c4c56
InChI
InChI=1S/C22H12/c1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-12H
IUPAC
Indeno(1,2,3-c,d)pyrene
Naphthalene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H8
Molecular Weight
128.17
Accurate Mass
128.0626
SMILES
c1ccc2ccccc2c1
InChI
InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
IUPAC
naphthalene
Naphthalene D8
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
C10 D8
Molecular Weight
136.22
Accurate Mass
136.1128
SMILES
[2H]c1c([2H])c([2H])c2c([2H])c([2H])c([2H])c([2H])c2c1[2H]
InChI
InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D
IUPAC
1,2,3,4,5,6,7,8-octadeuterionaphthalene
Perylene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H12
Molecular Weight
252.31
Accurate Mass
252.0939
SMILES
c1cc2cccc3c4cccc5cccc(c(c1)c23)c45
InChI
InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H
IUPAC
perylene
Perylene D12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
C20 2H12
Molecular Weight
264.38
Accurate Mass
264.1692
SMILES
[2H]c1c([2H])c2c([2H])c([2H])c([2H])c3c4c([2H])c([2H])c([2H])c5c([2H])c([2H])c([2H])c(c(c1[2H])c23)c45
InChI
InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
IUPAC
1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuterioperylene
Phenanthrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H10
Molecular Weight
178.23
Accurate Mass
178.0783
SMILES
c1ccc2c(c1)ccc3ccccc23
InChI
InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
IUPAC
phenanthrene
Phenanthrene D10
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
C14 2H10
Molecular Weight
188.29
Accurate Mass
188.141
SMILES
[2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c23
InChI
InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
IUPAC
1,2,3,4,5,6,7,8,9,10-decadeuteriophenanthrene
Pyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H10
Molecular Weight
202.25
Accurate Mass
202.0783
SMILES
c1cc2ccc3cccc4ccc(c1)c2c34
InChI
InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
IUPAC
pyrene
Product Data
Storage Temperature
-18°C
Shipping Temperature
+20°C
Country of Origin
UNITED STATES
Product Format
Mixture
Matrix
Methylene Chloride
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