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4-{[(E)-(4-fluorophenyl)methylidene]amino}-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 9xqUho0ZFbC
InChI InChI=1S/C14H10FN5S/c15-11-6-4-10(5-7-11)9-17-20-13(18-19-14(20)21)12-3-1-2-8-16-12/h1-9H,(H,19,21)/b17-9+
InChIKey FXCOXIRFHFVIKA-RQZCQDPDSA-N
Mol Weight 299.33 g/mol
Molecular Formula C14H10FN5S
Exact Mass 299.064095 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3HEhW7DtU7D
Name 4-{[(E)-(4-fluorophenyl)methylidene]amino}-5-(2-pyridinyl)-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/C14H10FN5S/c15-11-6-4-10(5-7-11)9-17-20-13(18-19-14(20)21)12-3-1-2-8-16-12/h1-9H,(H,19,21)/b17-9+
InChIKey FXCOXIRFHFVIKA-RQZCQDPDSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16748
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: D24807; Labnumber: GRES-02814; SBI_ID: SBI-016751
Synonyms 4-{[(E)-(4-fluorophenyl)methylidene]amino}-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(4-fluorophenyl)methylidene]amino}-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol
Temperature 315 °C