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3-(methylsulfanyl)-N-((E)-{5-[(2,4,6-trichlorophenoxy)methyl]-2-furyl}methylidene)-4H-1,2,4-triazol-4-amine
SpectraBase Compound ID FsPBgUcXEu0
InChI InChI=1S/C15H11Cl3N4O2S/c1-25-15-21-19-8-22(15)20-6-10-2-3-11(24-10)7-23-14-12(17)4-9(16)5-13(14)18/h2-6,8H,7H2,1H3/b20-6+
InChIKey ZDUSKQMDIULRRO-CGOBSMCZSA-N
Mol Weight 417.7 g/mol
Molecular Formula C15H11Cl3N4O2S
Exact Mass 415.96683 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cb8Qqq47VJP
Name 3-(methylsulfanyl)-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/C15H11Cl3N4O2S/c1-25-15-21-19-8-22(15)20-6-10-2-3-11(24-10)7-23-14-12(17)4-9(16)5-13(14)18/h2-6,8H,7H2,1H3/b20-6+
InChIKey ZDUSKQMDIULRRO-CGOBSMCZSA-N
NMR Offset 17.9101
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_31126
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: 1733960; SBI_ID: SBI-031130
Synonyms N-[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-N-((E)-{5-[(2,4,6-trichlorophenoxy)methyl]-2-furyl}methylidene)amine3-(methylsulfanyl)-N-({5-[(2,4,6-trichlorophenoxy)methyl]-2-furyl}methylidene)-4H-1,2,4-triazol-4-amine
Temperature 303 °C