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Methyl 2-(acetylamino)-3-[(3-oxocyclohexyl)sulfanyl]propanoate
SpectraBase Compound ID JCSau0WaUlh
InChI InChI=1S/C12H19NO4S/c1-8(14)13-11(12(16)17-2)7-18-10-5-3-4-9(15)6-10/h10-11H,3-7H2,1-2H3,(H,13,14)
InChIKey HAJQVOCSOSYWPL-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 1gIrXSkaaG0
Name Methyl 2-(acetylamino)-3-[(3-oxocyclohexyl)sulfanyl]propanoate
Alternate Name(s) 2-Acetamido-3-[(3-ketocyclohexyl)thio]propionic acid methyl ester 2-Acetamido-3-[(3-oxocyclohexyl)thio]propanoic acid methyl ester Methyl 2-acetamido-3-(3-oxidanylidenecyclohexyl)sulfanyl-propanoate Methyl 2-acetamido-3-(3-oxocyclohexyl)sulfanyl-propanoate N-Acetyl-S-(3-oxocyclohexyl)-L-cysteine methyl ester
CAS Registry Number 77549-17-8
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)7-18-10-5-3-4-9(15)6-10/h10-11H,3-7H2,1-2H3,(H,13,14)
InChIKey HAJQVOCSOSYWPL-UHFFFAOYSA-N
Molecular Weight 273.347 g/mol
SMILES N(C(CSC1CCCC(C1)=O)C(OC)=O)C(=O)C
SPLASH splash10-0002-9310000000-49c349c67c59dd99ec6b
Source of Spectrum W5-1989-34705-30831
Wiley ID 1277032