Caffeine, Ace-K, and Aspartame, Cal Set
Product Code
O2SI-112681-98-5PAK
CAS Number
3 AnalytesProduct Format
Mixture
Matrix
Methanol:Water 30:70
Product Categories
Product Type
Native/ParentShare product
- Product Name: Caffeine, Ace-K, and Aspartame, Cal Set
- Product Code: O2SI-112681-98-5PAK
- Brand: o2si
Documentation
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Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
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InChI
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Acesulfame potassium
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C4 H4 N O4 S . K
Molecular Weight
201.24
Accurate Mass
200.9498
SMILES
[K+].CC1=CC(=O)[N-]S(=O)(=O)O1
InChI
InChI=1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6);/q;+1/p-1
IUPAC
potassium;6-methyl-2,2-dioxo-1-oxa-2?^{6}-thia-3-azanidacyclohex-5-en-4-one
Aspartame
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H18 N2 O5
Molecular Weight
294.30
Accurate Mass
294.1216
SMILES
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O
InChI
InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1
IUPAC
(3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Caffeine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 N4 O2
Molecular Weight
194.19
Accurate Mass
194.0804
SMILES
CN1C(=O)N(C)c2ncn(C)c2C1=O
InChI
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
IUPAC
1,3,7-trimethylpurine-2,6-dione
Product Data
Storage Temperature
+4°C
Shipping Temperature
Ice pack (-20°C)
Country of Origin
UNITED STATES
Product Format
Mixture
Matrix
Methanol:Water 30:70
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