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Hydroxypropanenitrile 4-methylbenzenesulfonate-[13C3]

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Hydroxypropanenitrile 4-methylbenzenesulfonate-[13C3]

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General Information
Catalog: BLP-006355
CAS: 1391053-37-4
Molecular Formula: C7[13C]3H11NO3S
Molecular Weight: 228.24

Chemical Structure

Synonyms	Hydroxypropanenitrile 4-methylbenzenesulfonate-13C3; 3-Hydracrylonitrile p-Toluenesulfonate-13C3; 3-[[(4-Methylphenyl)sulfonyl]oxy]-propanenitrile-13C3; NSC 26359-13C3; 2-Cyanoethyl 4-Methylbenzenesulfonate-13C3
IUPAC Name	2-(azanylidyne(1-13C)methyl)(1,2-13C2)ethyl 4-methylbenzenesulfonate
Related CAS	34583-60-3 (unlabelled)
Canonical SMILES	CC1=CC=C(C=C1)S(=O)(=O)OCCC#N
InChI	InChI=1S/C10H11NO3S/c1-9-3-5-10(6-4-9)15(12,13)14-8-2-7-11/h3-6H,2,8H2,1H3/i2+1,7+1,8+1
InChI Key	JRGDCDUZKXETSW-IXCPQFGUSA-N
Solubility	Soluble in Chloroform, Dichloromethane, Methanol