For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

2-bromo-4-((E)-{[3-(3-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-methoxyphenol
SpectraBase Compound ID 1Tvu7122p1G
InChI InChI=1S/C18H17BrN4O3S/c1-3-26-13-6-4-5-12(9-13)17-21-22-18(27)23(17)20-10-11-7-14(19)16(24)15(8-11)25-2/h4-10,24H,3H2,1-2H3,(H,22,27)/b20-10+
InChIKey XBJQSLMAUAUCGA-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BJGpkqj8bsg
Name 2-bromo-4-((E)-{[3-(3-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/c1-3-26-13-6-4-5-12(9-13)17-21-22-18(27)23(17)20-10-11-7-14(19)16(24)15(8-11)25-2/h4-10,24H,3H2,1-2H3,(H,22,27)/b20-10+
InChIKey XBJQSLMAUAUCGA-KEBDBYFISA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16471
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: D25360; Labnumber: GRES-03587; SBI_ID: SBI-016474
Synonyms 2-bromo-4-({[3-(3-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-methoxyphenol
Temperature 318 °C