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4-[((E)-{5-[(2-chloro-4-fluorophenoxy)methyl]-2-furyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 2hpTN7CkWRS
InChI InChI=1S/C14H10ClFN4O2S/c15-12-5-9(16)1-4-13(12)21-7-11-3-2-10(22-11)6-18-20-8-17-19-14(20)23/h1-6,8H,7H2,(H,19,23)/b18-6+
InChIKey AGXVLZVVHLXFSD-NGYBGAFCSA-N
Mol Weight 352.77 g/mol
Molecular Formula C14H10ClFN4O2S
Exact Mass 352.019703 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8ljdvMSegsG
Name 4-[((E)-{5-[(2-chloro-4-fluorophenoxy)methyl]-2-furyl}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/C14H10ClFN4O2S/c15-12-5-9(16)1-4-13(12)21-7-11-3-2-10(22-11)6-18-20-8-17-19-14(20)23/h1-6,8H,7H2,(H,19,23)/b18-6+
InChIKey AGXVLZVVHLXFSD-NGYBGAFCSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29811
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: 1281374; SBI_ID: SBI-029815
Synonyms 4-[((E)-{5-[(2-chloro-4-fluorophenoxy)methyl]-2-furyl}methylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide4-[({5-[(2-chloro-4-fluorophenoxy)methyl]-2-furyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Temperature 318 °C