PAH Surrogate Standard Mix
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- structure.search.product.name PAH Surrogate Standard Mix
- Product Code: CIL-ES-5164
- Brand: CIL
Product Overview
Product Code
CIL-ES-5164
CAS Number
16 AnalytesProduct Format
Mixture
Product Categories
Polycyclic Aromatic Hydrocarbon (PAH) Reference Materials , Cambridge Isotope Laboratories
Product Type
Stable Isotope LabelledUnlabelled CAS Number
16 AnalytesProduct 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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Melting Point
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Appearance/Form
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SMILES
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InChI
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IUPAC
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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 D8
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
C12 2H8
Molecular Weight
160.24
Accurate Mass
160.1128
SMILES
[2H]C1=C([2H])c2c([2H])c([2H])c([2H])c3c([2H])c([2H])c([2H])c1c23
InChI
InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D
IUPAC
1,2,3,4,5,6,7,8-octadeuterioacenaphthylene
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(b)fluoranthene 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])c3c([2H])c([2H])c([2H])c4c5c([2H])c([2H])c([2H])c([2H])c5c([2H])c2c34
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/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
IUPAC
Benz[e]acephenanthrylene-1,2,3,4,5,6,7,8,9,10,11,12-d12
Benzo(g,h,i)perylene D12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
C22 2H12
Molecular Weight
288.40
Accurate Mass
288.1692
SMILES
[2H]c1c([2H])c2c([2H])c([2H])c3c([2H])c([2H])c4c([2H])c([2H])c5c([2H])c([2H])c([2H])c6c(c1[2H])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/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
IUPAC
Benzo[ghi]perylene-1,2,3,4,5,6,7,8,9,10,11,12-d12
Benzo(k)fluoranthene 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([2H])c3c(c([2H])c2c1[2H])c4c([2H])c([2H])c([2H])c5c([2H])c([2H])c([2H])c3c45
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/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[k]fluoranthene
Benzo[a]anthracene 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([2H])c3c(c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c34)c([2H])c2c1[2H]
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/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]anthracene
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,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
Fluoranthene D10
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
C16 2H10
Molecular Weight
212.31
Accurate Mass
212.141
SMILES
[2H]c1c([2H])c([2H])c2c(c1[2H])c3c([2H])c([2H])c([2H])c4c([2H])c([2H])c([2H])c2c34
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/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
IUPAC
1,2,3,4,5,6,7,8,9,10-decadeuteriofluoranthene
Fluorene D10
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
C13 D10
Molecular Weight
176.2801
Accurate Mass
176.141
SMILES
[2H]c1c([2H])c([2H])c2c(c1[2H])c3c([2H])c([2H])c([2H])c([2H])c3C2([2H])[2H]
InChI
InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2/i1D,2D,3D,4D,5D,6D,7D,8D,9D2
IUPAC
1,2,3,4,5,6,7,8,9,9-decadeuteriofluorene
Indeno(1,2,3-c,d)pyrene D12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
C22 2H12
Molecular Weight
288.40
Accurate Mass
288.1692
SMILES
[2H]c1c([2H])c([2H])c2c(c1[2H])c3c([2H])c([2H])c4c([2H])c([2H])c5c([2H])c([2H])c([2H])c6c([2H])c2c3c4c56
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/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
IUPAC
Indeno[1,2,3-cd]pyrene-1,2,3,4,5,6,7,8,9,10,11,12-d12
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 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 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-d10
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
C16 2H10
Molecular Weight
212.31
Accurate Mass
212.141
SMILES
[2H]c1c([2H])c2c([2H])c([2H])c3c([2H])c([2H])c([2H])c4c([2H])c([2H])c(c1[2H])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/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
IUPAC
1,2,3,4,5,6,7,8,9,10-decadeuteriopyrene
Product Data
Storage Temperature
Room Temperature
Shipping Temperature
No freezing
Country of Origin
UNITED STATES
Transport Restrictions
Air Excepted
Product Format
Mixture
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