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Propanethioic acid, 2-[(2-hydroxy-1-oxo-3-phenylpropyl)amino]-2-methyl-, S-phenyl ester
SpectraBase Compound ID 1Nt4AoJIqsv
InChI InChI=1S/C19H21NO3S/c1-19(2,18(23)24-15-11-7-4-8-12-15)20-17(22)16(21)13-14-9-5-3-6-10-14/h3-12,16,21H,13H2,1-2H3,(H,20,22)
InChIKey RTNWFMPTWJYTLQ-UHFFFAOYSA-N
Mol Weight 343.44 g/mol
Molecular Formula C19H21NO3S
Exact Mass 343.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cx6KZk6YIMX
Name Propanethioic acid, 2-[(2-hydroxy-1-oxo-3-phenylpropyl)amino]-2-methyl-, S-phenyl ester
CAS Registry Number 111492-29-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO3S
InChI InChI=1S/C19H21NO3S/c1-19(2,18(23)24-15-11-7-4-8-12-15)20-17(22)16(21)13-14-9-5-3-6-10-14/h3-12,16,21H,13H2,1-2H3,(H,20,22)
InChIKey RTNWFMPTWJYTLQ-UHFFFAOYSA-N
Molecular Weight 343.441 g/mol
SMILES N(C(C(Cc1ccccc1)O)=O)C(C(Sc1ccccc1)=O)(C)C
SPLASH splash10-0a4l-9200000000-bb2ed998a8bea395319c
Source of Spectrum H-70-112-14
Synonyms 2-(2-Hydroxy-3-phenylpropionamido)-2-methyl(thiopropionic acid)-S-phenylester S-phenyl 2-[(2-hydroxy-3-phenylpropanoyl)amino]-2-methylpropanethioate
Wiley ID 1337272