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5-ethyl-4-[((E)-{5-[(2,4,6-trichlorophenoxy)methyl]-2-furyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID LPzPOSJpXhF
InChI InChI=1S/C16H13Cl3N4O2S/c1-2-14-21-22-16(26)23(14)20-7-10-3-4-11(25-10)8-24-15-12(18)5-9(17)6-13(15)19/h3-7H,2,8H2,1H3,(H,22,26)/b20-7+
InChIKey DDYQWZFMVVLTKS-IFRROFPPSA-N
Mol Weight 431.73 g/mol
Molecular Formula C16H13Cl3N4O2S
Exact Mass 429.98248 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 90i9Uk1HkOi
Name 5-ethyl-4-[((E)-{5-[(2,4,6-trichlorophenoxy)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/C16H13Cl3N4O2S/c1-2-14-21-22-16(26)23(14)20-7-10-3-4-11(25-10)8-24-15-12(18)5-9(17)6-13(15)19/h3-7H,2,8H2,1H3,(H,22,26)/b20-7+
InChIKey DDYQWZFMVVLTKS-IFRROFPPSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31106
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: 1732446; SBI_ID: SBI-031110
Synonyms 5-ethyl-4-[((E)-{5-[(2,4,6-trichlorophenoxy)methyl]-2-furyl}methylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide5-ethyl-4-[({5-[(2,4,6-trichlorophenoxy)methyl]-2-furyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Temperature 308 °C