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Methyl 2-(acetylamino)-3-(2-cyclohexen-1-ylsulfanyl)propanoate
SpectraBase Compound ID HT6D9HIzVlh
InChI InChI=1S/C12H19NO3S/c1-9(14)13-11(12(15)16-2)8-17-10-6-4-3-5-7-10/h4,6,10-11H,3,5,7-8H2,1-2H3,(H,13,14)
InChIKey GWJXPBGBJYEOHV-UHFFFAOYSA-N
Mol Weight 257.35 g/mol
Molecular Formula C12H19NO3S
Exact Mass 257.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Yfkog5Stwp
Name Methyl 2-(acetylamino)-3-(2-cyclohexen-1-ylsulfanyl)propanoate
CAS Registry Number 77549-16-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO3S
InChI InChI=1S/C12H19NO3S/c1-9(14)13-11(12(15)16-2)8-17-10-6-4-3-5-7-10/h4,6,10-11H,3,5,7-8H2,1-2H3,(H,13,14)
InChIKey GWJXPBGBJYEOHV-UHFFFAOYSA-N
Molecular Weight 257.348 g/mol
SMILES N(C(CSC1CCCC=C1)C(OC)=O)C(=O)C
SPLASH splash10-001i-9610000000-7328d1cde853e23454cc
Source of Spectrum W5-1989-34709-30827
Synonyms 2-Acetamido-3-(1-cyclohex-2-enylthio)propanoic acid methyl ester 2-Acetamido-3-(cyclohex-2-en-1-ylthio)propionic acid methyl ester Methyl 2-acetamido-3-cyclohex-2-en-1-ylsulfanyl-propanoate N-Acetyl-S-(2-cyclohexenyl)-L-cysteine methyl ester
Wiley ID 1260633