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4-[((E)-{5-[(3-chloro-4-fluorophenoxy)methyl]-2-furyl}methylidene)amino]-5-ethyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID Gd5Jpt7YrS7
InChI InChI=1S/C16H14ClFN4O2S/c1-2-15-20-21-16(25)22(15)19-8-11-3-4-12(24-11)9-23-10-5-6-14(18)13(17)7-10/h3-8H,2,9H2,1H3,(H,21,25)/b19-8+
InChIKey IHYVNFZPZZFJFA-UFWORHAWSA-N
Mol Weight 380.83 g/mol
Molecular Formula C16H14ClFN4O2S
Exact Mass 380.051003 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5qtIs7XEh6E
Name 4-[((E)-{5-[(3-chloro-4-fluorophenoxy)methyl]-2-furyl}methylidene)amino]-5-ethyl-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/C16H14ClFN4O2S/c1-2-15-20-21-16(25)22(15)19-8-11-3-4-12(24-11)9-23-10-5-6-14(18)13(17)7-10/h3-8H,2,9H2,1H3,(H,21,25)/b19-8+
InChIKey IHYVNFZPZZFJFA-UFWORHAWSA-N
NMR Offset 17.9112
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_31097
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: 1731948; SBI_ID: SBI-031101
Synonyms 4-[((E)-{5-[(3-chloro-4-fluorophenoxy)methyl]-2-furyl}methylidene)amino]-5-ethyl-4H-1,2,4-triazol-3-yl hydrosulfide4-[({5-[(3-chloro-4-fluorophenoxy)methyl]-2-furyl}methylidene)amino]-5-ethyl-4H-1,2,4-triazole-3-thiol
Temperature 303 °C