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4-(3-chloro-2-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol

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4-(3-chloro-2-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 391Nse445bm
InChI InChI=1S/C15H12ClN3S/c1-10-12(16)8-5-9-13(10)19-14(17-18-15(19)20)11-6-3-2-4-7-11/h2-9H,1H3,(H,18,20)
InChIKey VGIJZIUHJUITMT-UHFFFAOYSA-N
Mol Weight 301.79 g/mol
Molecular Formula C15H12ClN3S
Exact Mass 301.044046 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6XFNi0TZmRQ
Name 4-(3-chloro-2-methylphenyl)-5-phenyl-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/C15H12ClN3S/c1-10-12(16)8-5-9-13(10)19-14(17-18-15(19)20)11-6-3-2-4-7-11/h2-9H,1H3,(H,18,20)
InChIKey VGIJZIUHJUITMT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18088
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: D31801; Labnumber: VGU-0022550; SBI_ID: SBI-018091
Synonyms 4-(3-chloro-2-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 308 °C