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4-[((E)-{5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-2-furyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID JgJg1DKg37W
InChI InChI=1S/C14H7Cl5N4O2S/c15-8-9(16)11(18)13(12(19)10(8)17)24-4-7-2-1-6(25-7)3-21-23-5-20-22-14(23)26/h1-3,5H,4H2,(H,22,26)/b21-3+
InChIKey CCBHMPJQDAQCLX-WSVFEZOKSA-N
Mol Weight 472.6 g/mol
Molecular Formula C14H7Cl5N4O2S
Exact Mass 469.873235 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DZHxb7N849V
Name 4-[((E)-{5-[(2,3,4,5,6-pentachlorophenoxy)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/C14H7Cl5N4O2S/c15-8-9(16)11(18)13(12(19)10(8)17)24-4-7-2-1-6(25-7)3-21-23-5-20-22-14(23)26/h1-3,5H,4H2,(H,22,26)/b21-3+
InChIKey CCBHMPJQDAQCLX-WSVFEZOKSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31165
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: 1737599; SBI_ID: SBI-031169
Synonyms 4-[((E)-{5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-2-furyl}methylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide4-[({5-[(2,3,4,5,6-pentachlorophenoxy)methyl]-2-furyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Temperature 308 °C