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

View entire compound with spectra: 1 NMR

4-benzyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 9bkKETw0p3q
InChI InChI=1S/C13H12ClN5S/c1-18-8-10(14)11(17-18)12-15-16-13(20)19(12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,16,20)
InChIKey IMOPJJGEFVPBDV-UHFFFAOYSA-N
Mol Weight 305.79 g/mol
Molecular Formula C13H12ClN5S
Exact Mass 305.050194 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LQJzFZ6fghG
Name 4-benzyl-5-(4-chloro-1-methyl-1H-pyrazol-3-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/C13H12ClN5S/c1-18-8-10(14)11(17-18)12-15-16-13(20)19(12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,16,20)
InChIKey IMOPJJGEFVPBDV-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14690
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/1019978; UBI_ID: UBI-014693
Synonyms 4-benzyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 308 °C