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5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID InJUJafzi4P
InChI InChI=1S/C15H13F4N5S/c1-8-2-4-9(5-3-8)24-12(20-21-15(24)25)7-23-11(14(18)19)6-10(22-23)13(16)17/h2-6,13-14H,7H2,1H3,(H,21,25)
InChIKey RWOJVZNUCLVYOH-UHFFFAOYSA-N
Mol Weight 371.36 g/mol
Molecular Formula C15H13F4N5S
Exact Mass 371.082779 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CfhJVa87LCJ
Name 5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
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/C15H13F4N5S/c1-8-2-4-9(5-3-8)24-12(20-21-15(24)25)7-23-11(14(18)19)6-10(22-23)13(16)17/h2-6,13-14H,7H2,1H3,(H,21,25)
InChIKey RWOJVZNUCLVYOH-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10582
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/1026128; Labnumber: KUZ0291; UZI_ID: UZI-010584
Synonyms 5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
Temperature 308 °C