For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Benzenepropanoic acid, .beta.-(acetylamino)-.alpha.-(phenylthio)-, ethyl ester
SpectraBase Compound ID KTXLOwtBulk
InChI InChI=1S/C19H21NO3S/c1-3-23-19(22)18(24-16-12-8-5-9-13-16)17(20-14(2)21)15-10-6-4-7-11-15/h4-13,17-18H,3H2,1-2H3,(H,20,21)
InChIKey KTLHZVVCTKEAET-UHFFFAOYSA-N
Mol Weight 343.44 g/mol
Molecular Formula C19H21NO3S
Exact Mass 343.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IhP8y6j0Lng
Name Benzenepropanoic acid, .beta.-(acetylamino)-.alpha.-(phenylthio)-, ethyl ester
CAS Registry Number 98289-64-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO3S
InChI InChI=1S/C19H21NO3S/c1-3-23-19(22)18(24-16-12-8-5-9-13-16)17(20-14(2)21)15-10-6-4-7-11-15/h4-13,17-18H,3H2,1-2H3,(H,20,21)
InChIKey KTLHZVVCTKEAET-UHFFFAOYSA-N
Molecular Weight 343.441 g/mol
SMILES N(C(C(C(=O)OCC)Sc1ccccc1)c1ccccc1)C(=O)C
SPLASH splash10-0a4j-0900000000-b0fcbd350bbec5fc64ee
Source of Spectrum KC-1985-1043-30
Synonyms Ethyl 3-(acetylamino)-3-phenyl-2-(phenylsulfanyl)propanoate Ethyl 3-acetamido-3-phenyl-2-phenylthiopropionate
Wiley ID 1337274