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2-Acetamido-3-(benzylthio)propionic acid methyl ester
SpectraBase Compound ID IfIAj0JWYA9
InChI InChI=1S/C13H17NO3S/c1-10(15)14-12(13(16)17-2)9-18-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,15)
InChIKey NELLUUAGFXJBKY-UHFFFAOYSA-N
Mol Weight 267.34 g/mol
Molecular Formula C13H17NO3S
Exact Mass 267.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EsNZ8zEuJ83
Name 2-Acetamido-3-(benzylthio)propionic acid methyl ester
CAS Registry Number 77549-14-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO3S
InChI InChI=1S/C13H17NO3S/c1-10(15)14-12(13(16)17-2)9-18-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,15)
InChIKey NELLUUAGFXJBKY-UHFFFAOYSA-N
Molecular Weight 267.343 g/mol
SMILES N(C(C(=O)OC)CSCc1ccccc1)C(=O)C
SPLASH splash10-0006-9210000000-13b593d5f8ae241d4b24
Source of Spectrum NW-1047-0-0
Synonyms Methyl 2-(acetylamino)-3-(benzylsulfanyl)propanoate 2-Acetamido-3-(phenylmethylthio)propanoic acid methyl ester Methyl 2-acetamido-3-(phenylmethylsulfanyl)propanoate Methyl 2-acetamido-3-benzylsulfanyl-propanoate N-Acetyl-S-benzyl-L-cysteine methyl ester
Wiley ID 1271048