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N-(2,3-dimethylphenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID FdpqSqtErfA
InChI InChI=1S/C26H26N4O2S/c1-18-12-14-21(15-13-18)30-24(16-32-22-9-5-4-6-10-22)28-29-26(30)33-17-25(31)27-23-11-7-8-19(2)20(23)3/h4-15H,16-17H2,1-3H3,(H,27,31)
InChIKey MZBPAFFTNMRGFH-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 GYU2v3xiqjs
Name N-(2,3-dimethylphenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/c1-18-12-14-21(15-13-18)30-24(16-32-22-9-5-4-6-10-22)28-29-26(30)33-17-25(31)27-23-11-7-8-19(2)20(23)3/h4-15H,16-17H2,1-3H3,(H,27,31)
InChIKey MZBPAFFTNMRGFH-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5641
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/11221613; Labnumber: 0555; IOH_ID: IOH-005642