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2-[2-cyanoethyl(phenylsulfonyl)amino]ethanoic acid
SpectraBase Compound ID 3eO1ooymKPn
InChI InChI=1S/C11H12N2O4S/c12-7-4-8-13(9-11(14)15)18(16,17)10-5-2-1-3-6-10/h1-3,5-6H,4,8-9H2,(H,14,15)
InChIKey ISOKEIMQUCSFSW-UHFFFAOYSA-N
Mol Weight 268.29 g/mol
Molecular Formula C11H12N2O4S
Exact Mass 268.051778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KJZMIfscaEC
Name 2-[2-cyanoethyl(phenylsulfonyl)amino]ethanoic acid
Alternate Name(s) 2-[benzenesulfonyl(2-cyanoethyl)amino]acetic acid 2-[besyl(2-cyanoethyl)amino]acetic acid Acetic acid, 2-[2-(cyanoethyl)](phenylsulfonyl)amino- [(2-Cyanoethyl)(phenylsulfonyl)amino]acetic acid
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Formula C11H12N2O4S
InChI InChI=1S/C11H12N2O4S/c12-7-4-8-13(9-11(14)15)18(16,17)10-5-2-1-3-6-10/h1-3,5-6H,4,8-9H2,(H,14,15)
InChIKey ISOKEIMQUCSFSW-UHFFFAOYSA-N
Molecular Weight 268.287 g/mol
SMILES OC(CN(S(=O)(=O)c1ccccc1)CCC#N)=O
SPLASH splash10-002f-9100000000-33bc6b77c866970f5b40
Wiley ID 1439304