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4-[((E)-{5-[(2,5-dichlorophenoxy)methyl]-2-furyl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 4B1bcnQtDXM
InChI InChI=1S/C15H10Cl2F2N4O2S/c16-8-1-4-11(17)12(5-8)24-7-10-3-2-9(25-10)6-20-23-14(13(18)19)21-22-15(23)26/h1-6,13H,7H2,(H,22,26)/b20-6+
InChIKey AITQYKUJAXEOQL-CGOBSMCZSA-N
Mol Weight 419.23 g/mol
Molecular Formula C15H10Cl2F2N4O2S
Exact Mass 417.986958 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5phFp8ATMDp
Name 4-[((E)-{5-[(2,5-dichlorophenoxy)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/C15H10Cl2F2N4O2S/c16-8-1-4-11(17)12(5-8)24-7-10-3-2-9(25-10)6-20-23-14(13(18)19)21-22-15(23)26/h1-6,13H,7H2,(H,22,26)/b20-6+
InChIKey AITQYKUJAXEOQL-CGOBSMCZSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29816
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: 1283110; SBI_ID: SBI-029820
Synonyms 4-[((E)-{5-[(2,5-dichlorophenoxy)methyl]-2-furyl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-[({5-[(2,5-dichlorophenoxy)methyl]-2-furyl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C