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4-bromo-2-((E)-{[3-(3-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
SpectraBase Compound ID 6xKhhcABTuH
InChI InChI=1S/C16H13BrN4O2S/c1-23-13-4-2-3-10(8-13)15-19-20-16(24)21(15)18-9-11-7-12(17)5-6-14(11)22/h2-9,22H,1H3,(H,20,24)/b18-9+
InChIKey KPCJRSAJBSLZQY-GIJQJNRQSA-N
Mol Weight 405.27 g/mol
Molecular Formula C16H13BrN4O2S
Exact Mass 403.99426 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JSfS2Otcuj5
Name 4-bromo-2-((E)-{[3-(3-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
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/C16H13BrN4O2S/c1-23-13-4-2-3-10(8-13)15-19-20-16(24)21(15)18-9-11-7-12(17)5-6-14(11)22/h2-9,22H,1H3,(H,20,24)/b18-9+
InChIKey KPCJRSAJBSLZQY-GIJQJNRQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5462
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: D25220; Labnumber: GRES-03271; SBI_ID: SBI-005464
Synonyms 4-bromo-2-({[3-(3-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Temperature 318 °C