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Methyl 2-(acetylamino)-3-[(2-oxocyclohexyl)sulfanyl]propanoate
SpectraBase Compound ID 5hiAqS0h6Mz
InChI InChI=1S/C12H19NO4S/c1-8(14)13-9(12(16)17-2)7-18-11-6-4-3-5-10(11)15/h9,11H,3-7H2,1-2H3,(H,13,14)
InChIKey BEJIXVAEJPSQCN-UHFFFAOYSA-N
Mol Weight 273.35 g/mol
Molecular Formula C12H19NO4S
Exact Mass 273.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GgK9ZcBJdDV
Name Methyl 2-(acetylamino)-3-[(2-oxocyclohexyl)sulfanyl]propanoate
CAS Registry Number 77549-11-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO4S
InChI InChI=1S/C12H19NO4S/c1-8(14)13-9(12(16)17-2)7-18-11-6-4-3-5-10(11)15/h9,11H,3-7H2,1-2H3,(H,13,14)
InChIKey BEJIXVAEJPSQCN-UHFFFAOYSA-N
Molecular Weight 273.347 g/mol
SMILES N(C(C)=O)C(CSC1CCCCC1=O)C(=O)OC
SPLASH splash10-0006-9510000000-393041ddbdfc831ba8ea
Source of Spectrum W5-1989-34711-30825
Synonyms 2-Acetamido-3-[(2-ketocyclohexyl)thio]propionic acid methyl ester 2-Acetamido-3-[(2-oxocyclohexyl)thio]propanoic acid methyl ester Methyl 2-acetamido-3-(2-oxidanylidenecyclohexyl)sulfanyl-propanoate Methyl 2-acetamido-3-(2-oxocyclohexyl)sulfanyl-propanoate N-Acetyl-S-(2-oxocyclohexyl)-L-cysteine methyl ester
Wiley ID 1277030