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Ethyl 3-[2-aminophenylthio]-3-phenyl-propanoate
SpectraBase Compound ID BZk7obA8Q7x
InChI InChI=1S/C17H19NO2S/c1-2-20-17(19)12-16(13-8-4-3-5-9-13)21-15-11-7-6-10-14(15)18/h3-11,16H,2,12,18H2,1H3
InChIKey DBQGYDGZOYWKOK-UHFFFAOYSA-N
Mol Weight 301.4 g/mol
Molecular Formula C17H19NO2S
Exact Mass 301.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 57kSVSF3il7
Name Ethyl 3-[2-aminophenylthio]-3-phenyl-propanoate
Alternate Name(s) Ethyl 3-[(2-aminophenyl)sulfanyl]-3-phenylpropanoate
CAS Registry Number 109532-97-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO2S
InChI InChI=1S/C17H19NO2S/c1-2-20-17(19)12-16(13-8-4-3-5-9-13)21-15-11-7-6-10-14(15)18/h3-11,16H,2,12,18H2,1H3
InChIKey DBQGYDGZOYWKOK-UHFFFAOYSA-N
Molecular Weight 301.404 g/mol
SMILES Nc1c(SC(CC(=O)OCC)c2ccccc2)cccc1
SPLASH splash10-0kdr-0901000000-09b451354c7489cff45f
Source of Spectrum K-120-1744-5
Wiley ID 1303821