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4-[((E)-{5-[(2-chloro-4-fluorophenoxy)methyl]-2-furyl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID J7699D7Oflt
InChI InChI=1S/C15H12ClFN4O2S/c1-9-19-20-15(24)21(9)18-7-11-3-4-12(23-11)8-22-14-5-2-10(17)6-13(14)16/h2-7H,8H2,1H3,(H,20,24)/b18-7+
InChIKey TZSZZDSXMDWKCK-CNHKJKLMSA-N
Mol Weight 366.8 g/mol
Molecular Formula C15H12ClFN4O2S
Exact Mass 366.035353 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GiZHXdVCFrB
Name 4-[((E)-{5-[(2-chloro-4-fluorophenoxy)methyl]-2-furyl}methylidene)amino]-5-methyl-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/C15H12ClFN4O2S/c1-9-19-20-15(24)21(9)18-7-11-3-4-12(23-11)8-22-14-5-2-10(17)6-13(14)16/h2-7H,8H2,1H3,(H,20,24)/b18-7+
InChIKey TZSZZDSXMDWKCK-CNHKJKLMSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29830
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: 1294826; SBI_ID: SBI-029834
Synonyms 4-[((E)-{5-[(2-chloro-4-fluorophenoxy)methyl]-2-furyl}methylidene)amino]-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide4-[({5-[(2-chloro-4-fluorophenoxy)methyl]-2-furyl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
Temperature 318 °C