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

*Links on SpectraBase are not permalinks.
3-pyridinecarbonitrile, 2-[[(3-bromophenyl)methyl]thio]-6-phenyl-4-(trifluoromethyl)-
SpectraBase Compound ID HCZB21nfMuV
InChI InChI=1S/C20H12BrF3N2S/c21-15-8-4-5-13(9-15)12-27-19-16(11-25)17(20(22,23)24)10-18(26-19)14-6-2-1-3-7-14/h1-10H,12H2
InChIKey OWIDRNQMZWKYDH-UHFFFAOYSA-N
Mol Weight 449.29 g/mol
Molecular Formula C20H12BrF3N2S
Exact Mass 447.985667 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 8WyEuHe6Nxs
Name 3-pyridinecarbonitrile, 2-[[(3-bromophenyl)methyl]thio]-6-phenyl-4-(trifluoromethyl)-
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/C20H12BrF3N2S/c21-15-8-4-5-13(9-15)12-27-19-16(11-25)17(20(22,23)24)10-18(26-19)14-6-2-1-3-7-14/h1-10H,12H2
InChIKey OWIDRNQMZWKYDH-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_5030
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: ZI/5030872; Labnumber: TSh-393; IOH_ID: IOH-012033