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5-(2-furyl)-4-[((E)-{5-[(2,4,6-trichlorophenoxy)methyl]-2-furyl}methylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID LemqBp6Hyg6
InChI InChI=1S/C18H11Cl3N4O3S/c19-10-6-13(20)16(14(21)7-10)27-9-12-4-3-11(28-12)8-22-25-17(23-24-18(25)29)15-2-1-5-26-15/h1-8H,9H2,(H,24,29)/b22-8+
InChIKey IJLPIVKWFSKLEQ-GZIVZEMBSA-N
Mol Weight 469.73 g/mol
Molecular Formula C18H11Cl3N4O3S
Exact Mass 467.961745 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ESMyik15hOy
Name 5-(2-furyl)-4-[((E)-{5-[(2,4,6-trichlorophenoxy)methyl]-2-furyl}methylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide
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/C18H11Cl3N4O3S/c19-10-6-13(20)16(14(21)7-10)27-9-12-4-3-11(28-12)8-22-25-17(23-24-18(25)29)15-2-1-5-26-15/h1-8H,9H2,(H,24,29)/b22-8+
InChIKey IJLPIVKWFSKLEQ-GZIVZEMBSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31169
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: 1737808; SBI_ID: SBI-031173
Synonyms 5-(2-furyl)-4-[((E)-{5-[(2,4,6-trichlorophenoxy)methyl]-2-furyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol5-(2-furyl)-4-[({5-[(2,4,6-trichlorophenoxy)methyl]-2-furyl}methylidene)amino]-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C