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3-(ethylsulfanyl)-N-((E)-{5-[(2-methylphenoxy)methyl]-2-furyl}methylidene)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine
SpectraBase Compound ID ErNIwbsyGpn
InChI InChI=1S/C18H17F3N4O2S/c1-3-28-17-24-23-16(18(19,20)21)25(17)22-10-13-8-9-14(27-13)11-26-15-7-5-4-6-12(15)2/h4-10H,3,11H2,1-2H3/b22-10+
InChIKey ZNJGSHILNKLIOD-LSHDLFTRSA-N
Mol Weight 410.42 g/mol
Molecular Formula C18H17F3N4O2S
Exact Mass 410.102431 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L1SNB3ZgFyy
Name 3-(ethylsulfanyl)-N-((E)-{5-[(2-methylphenoxy)methyl]-2-furyl}methylidene)-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/C18H17F3N4O2S/c1-3-28-17-24-23-16(18(19,20)21)25(17)22-10-13-8-9-14(27-13)11-26-15-7-5-4-6-12(15)2/h4-10H,3,11H2,1-2H3/b22-10+
InChIKey ZNJGSHILNKLIOD-LSHDLFTRSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31260
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: 1751593; SBI_ID: SBI-031264
Synonyms N-[3-(ethylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]-N-((E)-{5-[(2-methylphenoxy)methyl]-2-furyl}methylidene)amine3-(ethylsulfanyl)-N-({5-[(2-methylphenoxy)methyl]-2-furyl}methylidene)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine
Temperature 315 °C