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3-(ethylsulfanyl)-N-((E)-{5-[(2,4,6-trichlorophenoxy)methyl]-2-furyl}methylidene)-4H-1,2,4-triazol-4-amine
SpectraBase Compound ID IZvUFoQcaqq
InChI InChI=1S/C16H13Cl3N4O2S/c1-2-26-16-22-20-9-23(16)21-7-11-3-4-12(25-11)8-24-15-13(18)5-10(17)6-14(15)19/h3-7,9H,2,8H2,1H3/b21-7+
InChIKey HPVKWOCALIRKMB-QPSGOUHRSA-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 Kh7MzXy9gdz
Name 3-(ethylsulfanyl)-N-((E)-{5-[(2,4,6-trichlorophenoxy)methyl]-2-furyl}methylidene)-4H-1,2,4-triazol-4-amine
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/c1-2-26-16-22-20-9-23(16)21-7-11-3-4-12(25-11)8-24-15-13(18)5-10(17)6-14(15)19/h3-7,9H,2,8H2,1H3/b21-7+
InChIKey HPVKWOCALIRKMB-QPSGOUHRSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31150
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: 1736470; SBI_ID: SBI-031154
Synonyms N-[3-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-N-((E)-{5-[(2,4,6-trichlorophenoxy)methyl]-2-furyl}methylidene)amine3-(ethylsulfanyl)-N-({5-[(2,4,6-trichlorophenoxy)methyl]-2-furyl}methylidene)-4H-1,2,4-triazol-4-amine
Temperature 315 °C