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Methyl 2-(acetylamino)-3-[(4-oxocyclohexyl)sulfanyl]propanoate
SpectraBase Compound ID EUBe4e7R5Kg
InChI InChI=1S/C12H19NO4S/c1-8(14)13-11(12(16)17-2)7-18-10-5-3-9(15)4-6-10/h10-11H,3-7H2,1-2H3,(H,13,14)
InChIKey YBMNHKAMQQMCJM-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 FnKBVJESA4u
Name Methyl 2-(acetylamino)-3-[(4-oxocyclohexyl)sulfanyl]propanoate
CAS Registry Number 82971-47-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO4S
InChI InChI=1S/C12H19NO4S/c1-8(14)13-11(12(16)17-2)7-18-10-5-3-9(15)4-6-10/h10-11H,3-7H2,1-2H3,(H,13,14)
InChIKey YBMNHKAMQQMCJM-UHFFFAOYSA-N
Molecular Weight 273.347 g/mol
SMILES N(C(CSC1CCC(CC1)=O)C(OC)=O)C(=O)C
SPLASH splash10-02a5-9620000000-2cab45e54cb56ec396b0
Source of Spectrum W5-1989-34704-30832
Synonyms 2-Acetamido-3-[(4-ketocyclohexyl)thio]propionic acid methyl ester 2-Acetamido-3-[(4-oxocyclohexyl)thio]propanoic acid methyl ester Methyl 2-acetamido-3-(4-oxidanylidenecyclohexyl)sulfanyl-propanoate Methyl 2-acetamido-3-(4-oxocyclohexyl)sulfanyl-propanoate N-Acetyl-S-(4-oxocyclohexyl)-L-cysteine methyl ester
Wiley ID 1277031