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4-{[(E)-(3-bromophenyl)methylidene]amino}-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID Ih2TQMJyu18
InChI InChI=1S/C16H13BrN4OS/c1-22-14-7-3-5-12(9-14)15-19-20-16(23)21(15)18-10-11-4-2-6-13(17)8-11/h2-10H,1H3,(H,20,23)/b18-10+
InChIKey JAEHTRDKQDCFGP-VCHYOVAHSA-N
Mol Weight 389.27 g/mol
Molecular Formula C16H13BrN4OS
Exact Mass 387.999345 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H3voUKZ2tAy
Name 4-{[(E)-(3-bromophenyl)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/C16H13BrN4OS/c1-22-14-7-3-5-12(9-14)15-19-20-16(23)21(15)18-10-11-4-2-6-13(17)8-11/h2-10H,1H3,(H,20,23)/b18-10+
InChIKey JAEHTRDKQDCFGP-VCHYOVAHSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16897
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: D25201; Labnumber: GRES-03250; SBI_ID: SBI-016900
Synonyms 4-{[(E)-(3-bromophenyl)methylidene]amino}-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(3-bromophenyl)methylidene]amino}-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Temperature 315 °C