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

*Links on SpectraBase are not permalinks.
3-(N-Methyl-2-oxo-2,3-dihydro-benzoxazol-6-yl)-3-methylthio-2-phenyl-prop-2-en-dithioic acid, methyl ester
SpectraBase Compound ID B6CPgVhcg2Q
InChI InChI=1S/C19H17NO2S3/c1-20-14-10-9-13(11-15(14)22-19(20)21)17(24-2)16(18(23)25-3)12-7-5-4-6-8-12/h4-11H,1-3H3/b17-16-
InChIKey YCRLFLGQDUSPPF-MSUUIHNZSA-N
Mol Weight 387.53 g/mol
Molecular Formula C19H17NO2S3
Exact Mass 387.042142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 9zAgT14306c
Name 3-(N-Methyl-2-oxo-2,3-dihydro-benzoxazol-6-yl)-3-methylthio-2-phenyl-prop-2-en-dithioic acid, methyl ester
Comments isomer 1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H17NO2S3
InChI InChI=1S/C19H17NO2S3/c1-20-14-10-9-13(11-15(14)22-19(20)21)17(24-2)16(18(23)25-3)12-7-5-4-6-8-12/h4-11H,1-3H3/b17-16-
InChIKey YCRLFLGQDUSPPF-MSUUIHNZSA-N
Instrument Name Bruker WP-80
Literature Reference C. Vaccher, P. Berthelot, M. Debaert, Magn. Res. Chem. 27, 498 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3