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N-((E)-{5-[(2,3-dichlorophenoxy)methyl]-2-furyl}methylidene)-3-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
SpectraBase Compound ID 8gDbuvyXaUU
InChI InChI=1S/C16H14Cl2N4O2S/c1-10-20-21-16(25-2)22(10)19-8-11-6-7-12(24-11)9-23-14-5-3-4-13(17)15(14)18/h3-8H,9H2,1-2H3/b19-8+
InChIKey SHUPZXUAXYPYBA-UFWORHAWSA-N
Mol Weight 397.28 g/mol
Molecular Formula C16H14Cl2N4O2S
Exact Mass 396.021452 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JvgKG0ijxFi
Name N-((E)-{5-[(2,3-dichlorophenoxy)methyl]-2-furyl}methylidene)-3-methyl-5-(methylsulfanyl)-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/C16H14Cl2N4O2S/c1-10-20-21-16(25-2)22(10)19-8-11-6-7-12(24-11)9-23-14-5-3-4-13(17)15(14)18/h3-8H,9H2,1-2H3/b19-8+
InChIKey SHUPZXUAXYPYBA-UFWORHAWSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31136
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: 1735542; SBI_ID: SBI-031140
Synonyms N-((E)-{5-[(2,3-dichlorophenoxy)methyl]-2-furyl}methylidene)-N-[3-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]amineN-({5-[(2,3-dichlorophenoxy)methyl]-2-furyl}methylidene)-3-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Temperature 308 °C