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Methyl 2-(acetylamino)-3-[(3-oxobutyl)sulfanyl]propanoate
SpectraBase Compound ID 17QiTGOVZKk
InChI InChI=1S/C10H17NO4S/c1-7(12)4-5-16-6-9(10(14)15-3)11-8(2)13/h9H,4-6H2,1-3H3,(H,11,13)
InChIKey SGWQUROGYUTLCV-UHFFFAOYSA-N
Mol Weight 247.31 g/mol
Molecular Formula C10H17NO4S
Exact Mass 247.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4DtulzW4Gl9
Name Methyl 2-(acetylamino)-3-[(3-oxobutyl)sulfanyl]propanoate
Alternate Name(s) 2-Acetamido-3-(3-ketobutylthio)propionic acid methyl ester 2-Acetamido-3-(3-oxobutylthio)propanoic acid methyl ester Methyl 2-acetamido-3-(3-oxidanylidenebutylsulfanyl)propanoate Methyl 2-acetamido-3-(3-oxobutylsulfanyl)propanoate N-Acetyl-S-(3-oxobutyl)-L-cysteine methyl ester
CAS Registry Number 92079-04-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H17NO4S
InChI InChI=1S/C10H17NO4S/c1-7(12)4-5-16-6-9(10(14)15-3)11-8(2)13/h9H,4-6H2,1-3H3,(H,11,13)
InChIKey SGWQUROGYUTLCV-UHFFFAOYSA-N
Molecular Weight 247.309 g/mol
SMILES N(C(CSCCC(C)=O)C(OC)=O)C(C)=O
SPLASH splash10-00kr-5900000000-18d4be8377d7f55c4896
Source of Spectrum W5-1989-38256-27280
Wiley ID 1249749