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N-((E)-{5-[(2-chloro-4-fluorophenoxy)methyl]-2-furyl}methylidene)-3-(ethylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine
SpectraBase Compound ID 6nDJaqGQcYr
InChI InChI=1S/C17H13ClF4N4O2S/c1-2-29-16-25-24-15(17(20,21)22)26(16)23-8-11-4-5-12(28-11)9-27-14-6-3-10(19)7-13(14)18/h3-8H,2,9H2,1H3/b23-8+
InChIKey ULGHBRWYOHZYHP-LIMNOBDPSA-N
Mol Weight 448.82 g/mol
Molecular Formula C17H13ClF4N4O2S
Exact Mass 448.038387 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5eQYL3jZ5jO
Name N-((E)-{5-[(2-chloro-4-fluorophenoxy)methyl]-2-furyl}methylidene)-3-(ethylsulfanyl)-5-(trifluoromethyl)-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/C17H13ClF4N4O2S/c1-2-29-16-25-24-15(17(20,21)22)26(16)23-8-11-4-5-12(28-11)9-27-14-6-3-10(19)7-13(14)18/h3-8H,2,9H2,1H3/b23-8+
InChIKey ULGHBRWYOHZYHP-LIMNOBDPSA-N
NMR Offset 17.9129
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_31182
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: 1739206; SBI_ID: SBI-031186
Synonyms N-((E)-{5-[(2-chloro-4-fluorophenoxy)methyl]-2-furyl}methylidene)-N-[3-(ethylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]amineN-({5-[(2-chloro-4-fluorophenoxy)methyl]-2-furyl}methylidene)-3-(ethylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine
Temperature 303 °C