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Methyl 2-(acetylamino)-3-[(2-cyano-1-methylethyl)sulfanyl]propanoate
SpectraBase Compound ID 4nG9UbzuSpB
InChI InChI=1S/C10H16N2O3S/c1-7(4-5-11)16-6-9(10(14)15-3)12-8(2)13/h7,9H,4,6H2,1-3H3,(H,12,13)
InChIKey CYJHOKWAYAAHGO-UHFFFAOYSA-N
Mol Weight 244.31 g/mol
Molecular Formula C10H16N2O3S
Exact Mass 244.088164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENj03ROe79E
Name Methyl 2-(acetylamino)-3-[(2-cyano-1-methylethyl)sulfanyl]propanoate
CAS Registry Number 82971-44-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16N2O3S
InChI InChI=1S/C10H16N2O3S/c1-7(4-5-11)16-6-9(10(14)15-3)12-8(2)13/h7,9H,4,6H2,1-3H3,(H,12,13)
InChIKey CYJHOKWAYAAHGO-UHFFFAOYSA-N
Molecular Weight 244.309 g/mol
SMILES N(C(CSC(C)CC#N)C(OC)=O)C(=O)C
SPLASH splash10-00ko-8900000000-812635331f0eebfc99e0
Source of Spectrum W5-1989-34706-30830
Synonyms 2-Acetamido-3-(1-cyanopropan-2-ylthio)propanoic acid methyl ester 2-Acetamido-3-[(2-cyano-1-methyl-ethyl)thio]propionic acid methyl ester Methyl 2-acetamido-3-(1-cyanopropan-2-ylsulfanyl)propanoate Methyl 2-acetamido-3-(2-cyano-1-methyl-ethyl)sulfanyl-propanoate N-Acetyl-S-(1-methyl-2-cyanoethyl)-L-cysteine methyl ester
Wiley ID 1246572