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4-benzyl-5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 1 NMR

4-benzyl-5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 451Vjfont8Z
InChI InChI=1S/C14H14ClN5S/c1-9-11(15)12(19(2)18-9)13-16-17-14(21)20(13)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,17,21)
InChIKey LMNAYEWTJMHLAW-UHFFFAOYSA-N
Mol Weight 319.81 g/mol
Molecular Formula C14H14ClN5S
Exact Mass 319.065844 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DtUCoKMmi2k
Name 4-benzyl-5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-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/C14H14ClN5S/c1-9-11(15)12(19(2)18-9)13-16-17-14(21)20(13)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,17,21)
InChIKey LMNAYEWTJMHLAW-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14595
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: UZI/1019769; UBI_ID: UBI-014598
Synonyms 4-benzyl-5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 308 °C