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5-(2-chlorophenyl)-4-({(E)-[4-(pentyloxy)phenyl]methylidene}amino)-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID 7p5VqVYfkVr
InChI InChI=1S/C20H21ClN4OS/c1-2-3-6-13-26-16-11-9-15(10-12-16)14-22-25-19(23-24-20(25)27)17-7-4-5-8-18(17)21/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,24,27)/b22-14+
InChIKey XWVPOVYGMMFGRO-HYARGMPZSA-N
Mol Weight 400.93 g/mol
Molecular Formula C20H21ClN4OS
Exact Mass 400.11246 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KzzsBHR46uz
Name 5-(2-chlorophenyl)-4-({(E)-[4-(pentyloxy)phenyl]methylidene}amino)-4H-1,2,4-triazol-3-yl hydrosulfide
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/C20H21ClN4OS/c1-2-3-6-13-26-16-11-9-15(10-12-16)14-22-25-19(23-24-20(25)27)17-7-4-5-8-18(17)21/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,24,27)/b22-14+
InChIKey XWVPOVYGMMFGRO-HYARGMPZSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16550
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: D24958; Labnumber: GRES-02975; SBI_ID: SBI-016553
Synonyms 5-(2-chlorophenyl)-4-({(E)-[4-(pentyloxy)phenyl]methylidene}amino)-4H-1,2,4-triazole-3-thiol5-(2-chlorophenyl)-4-({[4-(pentyloxy)phenyl]methylidene}amino)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 308 °C