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1-[3-({[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-methoxyphenyl]ethanone

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1-[3-({[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-methoxyphenyl]ethanone
SpectraBase Compound ID Gdv5BD8DDur
InChI InChI=1S/C26H21N3O3S/c1-17(30)18-12-13-22(31-2)20(14-18)16-33-26-28-27-25(29(26)21-9-4-3-5-10-21)24-15-19-8-6-7-11-23(19)32-24/h3-15H,16H2,1-2H3
InChIKey IKGADOANSPBZBL-UHFFFAOYSA-N
Mol Weight 455.53 g/mol
Molecular Formula C26H21N3O3S
Exact Mass 455.130363 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Iyu3kcvh0L1
Name 1-[3-({[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-methoxyphenyl]ethanone
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/C26H21N3O3S/c1-17(30)18-12-13-22(31-2)20(14-18)16-33-26-28-27-25(29(26)21-9-4-3-5-10-21)24-15-19-8-6-7-11-23(19)32-24/h3-15H,16H2,1-2H3
InChIKey IKGADOANSPBZBL-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26644
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: D63717; Labnumber: AEKA03-0195; SBI_ID: SBI-026648
Temperature 315 °C