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4-({(E)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene}amino)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 1GU3xBFYvyO
InChI InChI=1S/C12H12F2N4O2S/c1-2-19-10-5-8(3-4-9(10)20-11(13)14)6-16-18-7-15-17-12(18)21/h3-7,11H,2H2,1H3,(H,17,21)/b16-6+
InChIKey IVLKIDKVZMZZEF-OMCISZLKSA-N
Mol Weight 314.31 g/mol
Molecular Formula C12H12F2N4O2S
Exact Mass 314.064903 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2jxLugMpKpV
Name 4-({(E)-[4-(difluoromethoxy)-3-ethoxyphenyl]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/C12H12F2N4O2S/c1-2-19-10-5-8(3-4-9(10)20-11(13)14)6-16-18-7-15-17-12(18)21/h3-7,11H,2H2,1H3,(H,17,21)/b16-6+
InChIKey IVLKIDKVZMZZEF-OMCISZLKSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29822
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: 1288878; SBI_ID: SBI-029826
Synonyms 4-({(E)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene}amino)-4H-1,2,4-triazol-3-yl hydrosulfide4-({[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene}amino)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C