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4-benzyl-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID ovzmoZ0hvk
InChI InChI=1S/C15H17N5S/c1-11-8-12(2)20(18-11)10-14-16-17-15(21)19(14)9-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,17,21)
InChIKey ZISDZBPVZRKLJG-UHFFFAOYSA-N
Mol Weight 299.4 g/mol
Molecular Formula C15H17N5S
Exact Mass 299.120467 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID XyNuAXousv
Name 4-benzyl-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-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/C15H17N5S/c1-11-8-12(2)20(18-11)10-14-16-17-15(21)19(14)9-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,17,21)
InChIKey ZISDZBPVZRKLJG-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14632
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/1019838; UBI_ID: UBI-014635
Synonyms 4-benzyl-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 308 °C