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4-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}butanenitrile

View entire compound with spectra: 1 NMR

4-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}butanenitrile
SpectraBase Compound ID 3r2VhkzTKTN
InChI InChI=1S/C18H15ClN4S/c19-15-10-8-14(9-11-15)17-21-22-18(24-13-5-4-12-20)23(17)16-6-2-1-3-7-16/h1-3,6-11H,4-5,13H2
InChIKey NTTTVRKQJLVICT-UHFFFAOYSA-N
Mol Weight 354.86 g/mol
Molecular Formula C18H15ClN4S
Exact Mass 354.070595 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E1lJzDbcLXj
Name 4-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}butanenitrile
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/C18H15ClN4S/c19-15-10-8-14(9-11-15)17-21-22-18(24-13-5-4-12-20)23(17)16-6-2-1-3-7-16/h1-3,6-11H,4-5,13H2
InChIKey NTTTVRKQJLVICT-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_1861
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/9253778; Labnumber: LP-2190785
Temperature 303 °C