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5-(3-methylphenyl)-4-({(E)-[4-(trifluoromethyl)phenyl]methylidene}amino)-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID 8TGO1BUNMSW
InChI InChI=1S/C17H13F3N4S/c1-11-3-2-4-13(9-11)15-22-23-16(25)24(15)21-10-12-5-7-14(8-6-12)17(18,19)20/h2-10H,1H3,(H,23,25)/b21-10+
InChIKey DSHKCYIUIALSKN-UFFVCSGVSA-N
Mol Weight 362.37 g/mol
Molecular Formula C17H13F3N4S
Exact Mass 362.081302 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BO2hz4BT7ZK
Name 5-(3-methylphenyl)-4-({(E)-[4-(trifluoromethyl)phenyl]methylidene}amino)-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/C17H13F3N4S/c1-11-3-2-4-13(9-11)15-22-23-16(25)24(15)21-10-12-5-7-14(8-6-12)17(18,19)20/h2-10H,1H3,(H,23,25)/b21-10+
InChIKey DSHKCYIUIALSKN-UFFVCSGVSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5430
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: D25113; Labnumber: GRES-03143; SBI_ID: SBI-005432
Synonyms 5-(3-methylphenyl)-4-({(E)-[4-(trifluoromethyl)phenyl]methylidene}amino)-4H-1,2,4-triazole-3-thiol5-(3-methylphenyl)-4-({[4-(trifluoromethyl)phenyl]methylidene}amino)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C