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S-(2-Aminoethyl) 2-(acetylamino)-3-phenylpropanethioate
SpectraBase Compound ID 4qStSfETqIx
InChI InChI=1S/C13H18N2O2S/c1-10(16)15-12(13(17)18-8-7-14)9-11-5-3-2-4-6-11/h2-6,12H,7-9,14H2,1H3,(H,15,16)
InChIKey CQHHMKKURBOBOP-UHFFFAOYSA-N
Mol Weight 266.36 g/mol
Molecular Formula C13H18N2O2S
Exact Mass 266.108899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIZIRMdEj8P
Name S-(2-Aminoethyl) 2-(acetylamino)-3-phenylpropanethioate
CAS Registry Number 96919-92-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N2O2S
InChI InChI=1S/C13H18N2O2S/c1-10(16)15-12(13(17)18-8-7-14)9-11-5-3-2-4-6-11/h2-6,12H,7-9,14H2,1H3,(H,15,16)
InChIKey CQHHMKKURBOBOP-UHFFFAOYSA-N
Molecular Weight 266.359 g/mol
SMILES N(C(C(SCCN)=O)Cc1ccccc1)C(C)=O
SPLASH splash10-00dl-5910000000-ca7d48de4eb5f3a1fcda
Source of Spectrum O-20-381-3
Synonyms 2-Acetamido-3-phenyl-propanethioic acid S-(2-aminoethyl) ester N-Acetyl-3-phenyl-thioalanine-dl-S(2-aminoethyl)ester S-(2-aminoethyl) 2-acetamido-3-phenyl-propanethioate S-(2-azanylethyl) 2-acetamido-3-phenyl-propanethioate 2-Acetamido-3-phenylpropanethioic acid S-(2-aminoethyl) ester
Wiley ID 1269715