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4-({(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}amino)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID IQOS2CPG0bD
InChI InChI=1S/C11H10F2N4O2S/c1-18-9-4-7(2-3-8(9)19-10(12)13)5-15-17-6-14-16-11(17)20/h2-6,10H,1H3,(H,16,20)/b15-5+
InChIKey OYTPILULGNVHSK-PJQLUOCWSA-N
Mol Weight 300.28 g/mol
Molecular Formula C11H10F2N4O2S
Exact Mass 300.049253 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2yX9X7EW2ZI
Name 4-({(E)-[4-(difluoromethoxy)-3-methoxyphenyl]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/C11H10F2N4O2S/c1-18-9-4-7(2-3-8(9)19-10(12)13)5-15-17-6-14-16-11(17)20/h2-6,10H,1H3,(H,16,20)/b15-5+
InChIKey OYTPILULGNVHSK-PJQLUOCWSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29808
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: 1280631; SBI_ID: SBI-029812
Synonyms 4-({(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}amino)-4H-1,2,4-triazol-3-yl hydrosulfide4-({[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}amino)-4H-1,2,4-triazole-3-thiol
Temperature 308 °C