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2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide

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2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
SpectraBase Compound ID 7HZtgLUE8al
InChI InChI=1S/C26H26N4O2S/c1-18-9-12-21(13-10-18)27-25(31)17-33-26-29-28-24(16-32-22-7-5-4-6-8-22)30(26)23-14-11-19(2)15-20(23)3/h4-15H,16-17H2,1-3H3,(H,27,31)
InChIKey DIUCYXVTOYEUMJ-UHFFFAOYSA-N
Mol Weight 458.58 g/mol
Molecular Formula C26H26N4O2S
Exact Mass 458.177647 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GDsZaPCt2MO
Name 2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
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/C26H26N4O2S/c1-18-9-12-21(13-10-18)27-25(31)17-33-26-29-28-24(16-32-22-7-5-4-6-8-22)30(26)23-14-11-19(2)15-20(23)3/h4-15H,16-17H2,1-3H3,(H,27,31)
InChIKey DIUCYXVTOYEUMJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6442
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: NMR/11252622; Labnumber: 1327; IOH_ID: IOH-006443