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

View entire compound with spectra: 1 NMR

4-(4-chloro-2,5-dimethoxyphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 7I85D16kAGy
InChI InChI=1S/C16H14ClN3O2S/c1-21-13-9-12(14(22-2)8-11(13)17)20-15(18-19-16(20)23)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,19,23)
InChIKey OXOGXKPYLDFYEQ-UHFFFAOYSA-N
Mol Weight 347.82 g/mol
Molecular Formula C16H14ClN3O2S
Exact Mass 347.049526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5Wa9ZljAOBL
Name 4-(4-chloro-2,5-dimethoxyphenyl)-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/C16H14ClN3O2S/c1-21-13-9-12(14(22-2)8-11(13)17)20-15(18-19-16(20)23)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,19,23)
InChIKey OXOGXKPYLDFYEQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18087
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: D31800; Labnumber: VGU-0022549; SBI_ID: SBI-018090
Synonyms 4-(4-chloro-2,5-dimethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 308 °C