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

View entire compound with spectra: 1 NMR

4-({[4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
SpectraBase Compound ID DzIsJHC50MI
InChI InChI=1S/C19H15ClN4S/c1-2-11-24-18(16-7-9-17(20)10-8-16)22-23-19(24)25-13-15-5-3-14(12-21)4-6-15/h2-10H,1,11,13H2
InChIKey GSHUJVIFHVMUPC-UHFFFAOYSA-N
Mol Weight 366.87 g/mol
Molecular Formula C19H15ClN4S
Exact Mass 366.070595 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CF4m1j9qLzF
Name 4-({[4-allyl-5-(4-chlorophenyl)-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/C19H15ClN4S/c1-2-11-24-18(16-7-9-17(20)10-8-16)22-23-19(24)25-13-15-5-3-14(12-21)4-6-15/h2-10H,1,11,13H2
InChIKey GSHUJVIFHVMUPC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4020
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: D98415; Labnumber: GRES-20639; SBI_ID: SBI-004022
Temperature 308 °C