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2-bromo-4-((E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-methoxyphenol

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2-bromo-4-((E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-methoxyphenol
SpectraBase Compound ID IPWntpVDcdN
InChI InChI=1S/C18H17BrN4O3S/c1-3-26-13-6-4-12(5-7-13)17-21-22-18(27)23(17)20-10-11-8-14(19)16(24)15(9-11)25-2/h4-10,24H,3H2,1-2H3,(H,22,27)/b20-10+
InChIKey HQKTUDOVOIFOQA-KEBDBYFISA-N
Mol Weight 449.32 g/mol
Molecular Formula C18H17BrN4O3S
Exact Mass 448.020475 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AGJZTCSQjqy
Name 2-bromo-4-((E)-{[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-methoxyphenol
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/C18H17BrN4O3S/c1-3-26-13-6-4-12(5-7-13)17-21-22-18(27)23(17)20-10-11-8-14(19)16(24)15(9-11)25-2/h4-10,24H,3H2,1-2H3,(H,22,27)/b20-10+
InChIKey HQKTUDOVOIFOQA-KEBDBYFISA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16495
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: D25434; Labnumber: GRES-03678; SBI_ID: SBI-016498
Synonyms 2-bromo-4-({[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-methoxyphenol
Temperature 318 °C