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3-(1-benzofuran-2-yl)-5-[(3-bromo-4-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
SpectraBase Compound ID Jon8xCVQt4L
InChI InChI=1S/C24H18BrN3O2S/c1-29-21-12-11-16(13-19(21)25)15-31-24-27-26-23(28(24)18-8-3-2-4-9-18)22-14-17-7-5-6-10-20(17)30-22/h2-14H,15H2,1H3
InChIKey SGEDHEMDUHSNPJ-UHFFFAOYSA-N
Mol Weight 492.39 g/mol
Molecular Formula C24H18BrN3O2S
Exact Mass 491.030311 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1NqV6XB0KDv
Name 3-(1-benzofuran-2-yl)-5-[(3-bromo-4-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
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/C24H18BrN3O2S/c1-29-21-12-11-16(13-19(21)25)15-31-24-27-26-23(28(24)18-8-3-2-4-9-18)22-14-17-7-5-6-10-20(17)30-22/h2-14H,15H2,1H3
InChIKey SGEDHEMDUHSNPJ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26642
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: D63714; Labnumber: AEKA03-0181; SBI_ID: SBI-026646
Synonyms 4-({[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-bromophenyl methyl ether
Temperature 315 °C