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

*Links on SpectraBase are not permalinks.
3-pyridinecarbonitrile, 5-benzoyl-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-2-(methylthio)-
SpectraBase Compound ID K4XiYJRHPQQ
InChI InChI=1S/C21H17ClN2OS/c1-13-18(20(25)14-8-4-3-5-9-14)19(15-10-6-7-11-17(15)22)16(12-23)21(24-13)26-2/h3-11,19,24H,1-2H3
InChIKey BDTDYIPDESRFKO-UHFFFAOYSA-N
Mol Weight 380.89 g/mol
Molecular Formula C21H17ClN2OS
Exact Mass 380.075012 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 5XGPb97mOCH
Name 3-pyridinecarbonitrile, 5-benzoyl-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-2-(methylthio)-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H17ClN2OS/c1-13-18(20(25)14-8-4-3-5-9-14)19(15-10-6-7-11-17(15)22)16(12-23)21(24-13)26-2/h3-11,19,24H,1-2H3
InChIKey BDTDYIPDESRFKO-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_2332
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/9253177; Labnumber: KR-0000029
Temperature 303 °C