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4-[((E)-{5-[(3-chlorophenoxy)methyl]-2-furyl}methylidene)amino]-5-(2-furyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID FUAwRdI7xau
InChI InChI=1S/C18H13ClN4O3S/c19-12-3-1-4-13(9-12)25-11-15-7-6-14(26-15)10-20-23-17(21-22-18(23)27)16-5-2-8-24-16/h1-10H,11H2,(H,22,27)/b20-10+
InChIKey SQZWUBRJYFPZNJ-KEBDBYFISA-N
Mol Weight 400.84 g/mol
Molecular Formula C18H13ClN4O3S
Exact Mass 400.039689 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7eu0i6GNDBc
Name 4-[((E)-{5-[(3-chlorophenoxy)methyl]-2-furyl}methylidene)amino]-5-(2-furyl)-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/C18H13ClN4O3S/c19-12-3-1-4-13(9-12)25-11-15-7-6-14(26-15)10-20-23-17(21-22-18(23)27)16-5-2-8-24-16/h1-10H,11H2,(H,22,27)/b20-10+
InChIKey SQZWUBRJYFPZNJ-KEBDBYFISA-N
NMR Offset 17.912
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_31265
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: 1751726; SBI_ID: SBI-031269
Synonyms 4-[((E)-{5-[(3-chlorophenoxy)methyl]-2-furyl}methylidene)amino]-5-(2-furyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-[({5-[(3-chlorophenoxy)methyl]-2-furyl}methylidene)amino]-5-(2-furyl)-4H-1,2,4-triazole-3-thiol
Temperature 303 °C