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4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID GjwZR6k2R2a
InChI InChI=1S/C16H12BrFN4OS/c1-23-13-4-2-3-10(8-13)15-20-21-16(24)22(15)19-9-11-7-12(17)5-6-14(11)18/h2-9H,1H3,(H,21,24)/b19-9+
InChIKey DKKYBPWEHUUUPA-DJKKODMXSA-N
Mol Weight 407.26 g/mol
Molecular Formula C16H12BrFN4OS
Exact Mass 405.989923 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EXTcK4fgRtZ
Name 4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(3-methoxyphenyl)-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/C16H12BrFN4OS/c1-23-13-4-2-3-10(8-13)15-20-21-16(24)22(15)19-9-11-7-12(17)5-6-14(11)18/h2-9H,1H3,(H,21,24)/b19-9+
InChIKey DKKYBPWEHUUUPA-DJKKODMXSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16928
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: D25274; Labnumber: GRES-03329; SBI_ID: SBI-016931
Synonyms 4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(5-bromo-2-fluorophenyl)methylidene]amino}-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Temperature 315 °C