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5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID mBB30nXuZ
InChI InChI=1S/C14H10F5N5S/c15-7-1-3-8(4-2-7)24-11(20-21-14(24)25)6-23-10(13(18)19)5-9(22-23)12(16)17/h1-5,12-13H,6H2,(H,21,25)
InChIKey NCMSXTJNVPPWHW-UHFFFAOYSA-N
Mol Weight 375.32 g/mol
Molecular Formula C14H10F5N5S
Exact Mass 375.057707 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3xwMWkoaozO
Name 5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-(4-fluorophenyl)-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/C14H10F5N5S/c15-7-1-3-8(4-2-7)24-11(20-21-14(24)25)6-23-10(13(18)19)5-9(22-23)12(16)17/h1-5,12-13H,6H2,(H,21,25)
InChIKey NCMSXTJNVPPWHW-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10580
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/1026435; Labnumber: KUZ0289; UZI_ID: UZI-010582
Synonyms 5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Temperature 308 °C