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

*Links on SpectraBase are not permalinks.

3-chloro-4-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

View entire compound with spectra: 1 NMR

3-chloro-4-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
SpectraBase Compound ID LHDdsSyXibL
InChI InChI=1S/C23H17ClN4OS/c1-29-20-11-9-17(10-12-20)22-26-27-23(28(22)19-5-3-2-4-6-19)30-15-18-8-7-16(14-25)13-21(18)24/h2-13H,15H2,1H3
InChIKey LBYUTRSHIZIUJB-UHFFFAOYSA-N
Mol Weight 432.93 g/mol
Molecular Formula C23H17ClN4OS
Exact Mass 432.08116 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 4Kd3wzGKwjs
Name 3-chloro-4-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
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/C23H17ClN4OS/c1-29-20-11-9-17(10-12-20)22-26-27-23(28(22)19-5-3-2-4-6-19)30-15-18-8-7-16(14-25)13-21(18)24/h2-13H,15H2,1H3
InChIKey LBYUTRSHIZIUJB-UHFFFAOYSA-N
NMR Offset 16.8468
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3017
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/9215403; Labnumber: LP-0502115
Temperature 297 °C