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

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2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
SpectraBase Compound ID 6rRwXCUDZQ
InChI InChI=1S/C31H28N4O3S/c1-22-13-18-28(23(2)19-22)35-29(20-37-25-9-5-3-6-10-25)33-34-31(35)39-21-30(36)32-24-14-16-27(17-15-24)38-26-11-7-4-8-12-26/h3-19H,20-21H2,1-2H3,(H,32,36)
InChIKey KHPFZUFKUAYRMC-UHFFFAOYSA-N
Mol Weight 536.65 g/mol
Molecular Formula C31H28N4O3S
Exact Mass 536.188212 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H7NIt2bV4YR
Name 2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)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/C31H28N4O3S/c1-22-13-18-28(23(2)19-22)35-29(20-37-25-9-5-3-6-10-25)33-34-31(35)39-21-30(36)32-24-14-16-27(17-15-24)38-26-11-7-4-8-12-26/h3-19H,20-21H2,1-2H3,(H,32,36)
InChIKey KHPFZUFKUAYRMC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6438
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/11252618; Labnumber: 1323; IOH_ID: IOH-006439