For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-[((E)-{5-[(3-chloro-4-fluorophenoxy)methyl]-2-furyl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 3w02Q9e8pU3
InChI InChI=1S/C15H10ClF3N4O2S/c16-11-5-8(3-4-12(11)17)24-7-10-2-1-9(25-10)6-20-23-14(13(18)19)21-22-15(23)26/h1-6,13H,7H2,(H,22,26)/b20-6+
InChIKey QIIMDKUEHRBXKN-CGOBSMCZSA-N
Mol Weight 402.78 g/mol
Molecular Formula C15H10ClF3N4O2S
Exact Mass 402.016509 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID L4t2nuGrtJh
Name 4-[((E)-{5-[(3-chloro-4-fluorophenoxy)methyl]-2-furyl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
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/C15H10ClF3N4O2S/c16-11-5-8(3-4-12(11)17)24-7-10-2-1-9(25-10)6-20-23-14(13(18)19)21-22-15(23)26/h1-6,13H,7H2,(H,22,26)/b20-6+
InChIKey QIIMDKUEHRBXKN-CGOBSMCZSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31120
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: 1733538; SBI_ID: SBI-031124
Synonyms 4-[((E)-{5-[(3-chloro-4-fluorophenoxy)methyl]-2-furyl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-[({5-[(3-chloro-4-fluorophenoxy)methyl]-2-furyl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C