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4-{[(E)-(2-chloro-6-fluorophenyl)methylidene]amino}-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID K1e2vIKl5gr
InChI InChI=1S/C17H14ClFN4OS/c1-2-24-12-6-3-5-11(9-12)16-21-22-17(25)23(16)20-10-13-14(18)7-4-8-15(13)19/h3-10H,2H2,1H3,(H,22,25)/b20-10+
InChIKey CYOYBOBOSLOHNU-KEBDBYFISA-N
Mol Weight 376.84 g/mol
Molecular Formula C17H14ClFN4OS
Exact Mass 376.056088 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LWYEvrLu8fc
Name 4-{[(E)-(2-chloro-6-fluorophenyl)methylidene]amino}-5-(3-ethoxyphenyl)-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/C17H14ClFN4OS/c1-2-24-12-6-3-5-11(9-12)16-21-22-17(25)23(16)20-10-13-14(18)7-4-8-15(13)19/h3-10H,2H2,1H3,(H,22,25)/b20-10+
InChIKey CYOYBOBOSLOHNU-KEBDBYFISA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16456
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: D25318; Labnumber: GRES-03536; SBI_ID: SBI-016459
Synonyms 4-{[(E)-(2-chloro-6-fluorophenyl)methylidene]amino}-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(2-chloro-6-fluorophenyl)methylidene]amino}-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C