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5-(3-methyl-1H-pyrazol-5-yl)-4-({(E)-[2-(trifluoromethyl)phenyl]methylidene}amino)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID GRH9Nvp9C5a
InChI InChI=1S/C14H11F3N6S/c1-8-6-11(20-19-8)12-21-22-13(24)23(12)18-7-9-4-2-3-5-10(9)14(15,16)17/h2-7H,1H3,(H,19,20)(H,22,24)/b18-7+
InChIKey AJMJADDXISVDHV-CNHKJKLMSA-N
Mol Weight 352.34 g/mol
Molecular Formula C14H11F3N6S
Exact Mass 352.0718 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7GHLGqZ4vdI
Name 5-(3-methyl-1H-pyrazol-5-yl)-4-({(E)-[2-(trifluoromethyl)phenyl]methylidene}amino)-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/C14H11F3N6S/c1-8-6-11(20-19-8)12-21-22-13(24)23(12)18-7-9-4-2-3-5-10(9)14(15,16)17/h2-7H,1H3,(H,19,20)(H,22,24)/b18-7+
InChIKey AJMJADDXISVDHV-CNHKJKLMSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10538
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: E00591; Labnumber: GRES-16088; SBI_ID: SBI-010541
Synonyms 5-(3-methyl-1H-pyrazol-5-yl)-4-({(E)-[2-(trifluoromethyl)phenyl]methylidene}amino)-4H-1,2,4-triazol-3-yl hydrosulfide5-(3-methyl-1H-pyrazol-5-yl)-4-({[2-(trifluoromethyl)phenyl]methylidene}amino)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C