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2-Acetamido-3-phenyl-propanethioic acid S-(2-acetamidoethyl) ester
SpectraBase Compound ID Bnw5PK3gLFh
InChI InChI=1S/C15H20N2O3S/c1-11(18)16-8-9-21-15(20)14(17-12(2)19)10-13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKey XFTQENUAFSFASN-UHFFFAOYSA-N
Mol Weight 308.4 g/mol
Molecular Formula C15H20N2O3S
Exact Mass 308.119464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5PEOWbiuvkA
Name 2-Acetamido-3-phenyl-propanethioic acid S-(2-acetamidoethyl) ester
Alternate Name(s) N-Acetyl-3-phenylthioalanine-dl S-(2-acetylaminoethyl) ester S-(2-acetamidoethyl) 2-acetamido-3-phenyl-propanethioate 2-Acetamido-3-phenylpropanethioic acid S-(2-acetamidoethyl) ester
CAS Registry Number 96919-93-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20N2O3S
InChI InChI=1S/C15H20N2O3S/c1-11(18)16-8-9-21-15(20)14(17-12(2)19)10-13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKey XFTQENUAFSFASN-UHFFFAOYSA-N
Molecular Weight 308.396 g/mol
SMILES N(CCSC(C(Cc1ccccc1)NC(C)=O)=O)C(C)=O
SPLASH splash10-00dl-4920000000-0b57723abe769908a188
Source of Spectrum O-20-381-4
Wiley ID 1309547