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

View entire compound with spectra: 1 NMR

4-({[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
SpectraBase Compound ID LFku83aNr9b
InChI InChI=1S/C23H17ClN4OS/c1-29-21-12-6-18(7-13-21)22-26-27-23(28(22)20-10-8-19(24)9-11-20)30-15-17-4-2-16(14-25)3-5-17/h2-13H,15H2,1H3
InChIKey MHXJNNAHAKLEBI-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

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SpectraBase Spectrum ID GNa6rozkFsu
Name 4-({[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-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/c1-29-21-12-6-18(7-13-21)22-26-27-23(28(22)20-10-8-19(24)9-11-20)30-15-17-4-2-16(14-25)3-5-17/h2-13H,15H2,1H3
InChIKey MHXJNNAHAKLEBI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14302
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: D98156; Labnumber: GRES-16584; SBI_ID: SBI-014305
Temperature 318 °C