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

View entire compound with spectra: 1 NMR

4-(4-chloro-2,5-dimethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 6x87uqpzOVW
InChI InChI=1S/C15H13ClN4O2S/c1-21-12-7-11(13(22-2)6-10(12)16)20-14(18-19-15(20)23)9-4-3-5-17-8-9/h3-8H,1-2H3,(H,19,23)
InChIKey SCPWVVFIRMBIPQ-UHFFFAOYSA-N
Mol Weight 348.81 g/mol
Molecular Formula C15H13ClN4O2S
Exact Mass 348.044775 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8fvBMSgMoVy
Name 4-(4-chloro-2,5-dimethoxyphenyl)-5-(3-pyridinyl)-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/C15H13ClN4O2S/c1-21-12-7-11(13(22-2)6-10(12)16)20-14(18-19-15(20)23)9-4-3-5-17-8-9/h3-8H,1-2H3,(H,19,23)
InChIKey SCPWVVFIRMBIPQ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29533
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: D93445; Labnumber: VGU-23339; SBI_ID: SBI-029537
Synonyms 4-(4-chloro-2,5-dimethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 308 °C