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5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-cyclohexyl-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 1 NMR

5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-cyclohexyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID Eb5rUTHaC5G
InChI InChI=1S/C12H16ClN5S/c1-17-7-9(13)10(16-17)11-14-15-12(19)18(11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,15,19)
InChIKey XGVAWTQKZKKQJJ-UHFFFAOYSA-N
Mol Weight 297.81 g/mol
Molecular Formula C12H16ClN5S
Exact Mass 297.081494 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5rktJpoEuqv
Name 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-cyclohexyl-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/C12H16ClN5S/c1-17-7-9(13)10(16-17)11-14-15-12(19)18(11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,15,19)
InChIKey XGVAWTQKZKKQJJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14830
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/1020260; UBI_ID: UBI-014833
Synonyms 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 308 °C