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Propanethioic acid, 2-[(3-amino-2-methyl-1,3-dioxo-2-phenylpropyl)amino]-2-methyl-, S-phenyl ester
SpectraBase Compound ID I4ArD9DC7Qs
InChI InChI=1S/C20H22N2O3S/c1-19(2,18(25)26-15-12-8-5-9-13-15)22-17(24)20(3,16(21)23)14-10-6-4-7-11-14/h4-13H,1-3H3,(H2,21,23)(H,22,24)
InChIKey RJRAMEOAOSQOCT-UHFFFAOYSA-N
Mol Weight 370.47 g/mol
Molecular Formula C20H22N2O3S
Exact Mass 370.135114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JInsvotCYXY
Name Propanethioic acid, 2-[(3-amino-2-methyl-1,3-dioxo-2-phenylpropyl)amino]-2-methyl-, S-phenyl ester
CAS Registry Number 97266-38-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O3S
InChI InChI=1S/C20H22N2O3S/c1-19(2,18(25)26-15-12-8-5-9-13-15)22-17(24)20(3,16(21)23)14-10-6-4-7-11-14/h4-13H,1-3H3,(H2,21,23)(H,22,24)
InChIKey RJRAMEOAOSQOCT-UHFFFAOYSA-N
Molecular Weight 370.467 g/mol
SMILES NC(C(C(NC(C(Sc1ccccc1)=O)(C)C)=O)(c1ccccc1)C)=O
SPLASH splash10-0gx0-4910000000-4f36b4c1fe9a9151ae03
Source of Spectrum H-68-472-9
Synonyms N-(1-phenylthiocarbonyl-1-methylathyl)-2-methyl-2-phenylmalonamid S-phenyl 2-[(3-amino-2-methyl-3-oxo-2-phenylpropanoyl)amino]-2-methylpropanethioate
Wiley ID 1354241