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4-({(E)-[4-(benzyloxy)phenyl]methylidene}amino)-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID LlXkY7YLa0j
InChI InChI=1S/C22H17ClN4OS/c23-20-9-5-4-8-19(20)21-25-26-22(29)27(21)24-14-16-10-12-18(13-11-16)28-15-17-6-2-1-3-7-17/h1-14H,15H2,(H,26,29)/b24-14+
InChIKey JFAIDFBYTNBWTH-ZVHZXABRSA-N
Mol Weight 420.92 g/mol
Molecular Formula C22H17ClN4OS
Exact Mass 420.08116 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1lKDJb2UgY5
Name 4-({(E)-[4-(benzyloxy)phenyl]methylidene}amino)-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol
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/C22H17ClN4OS/c23-20-9-5-4-8-19(20)21-25-26-22(29)27(21)24-14-16-10-12-18(13-11-16)28-15-17-6-2-1-3-7-17/h1-14H,15H2,(H,26,29)/b24-14+
InChIKey JFAIDFBYTNBWTH-ZVHZXABRSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16511
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: D24872; Labnumber: GRES-02885; SBI_ID: SBI-016514
Synonyms 4-({(E)-[4-(benzyloxy)phenyl]methylidene}amino)-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-({[4-(benzyloxy)phenyl]methylidene}amino)-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Temperature 308 °C