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2-({5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
SpectraBase Compound ID 8Ga86mnkqCE
InChI InChI=1S/C25H23FN4O2S/c1-17-12-13-20(14-18(17)2)32-15-23-28-29-25(30(23)19-8-4-3-5-9-19)33-16-24(31)27-22-11-7-6-10-21(22)26/h3-14H,15-16H2,1-2H3,(H,27,31)
InChIKey JJTBYEYRLVCDHU-UHFFFAOYSA-N
Mol Weight 462.54 g/mol
Molecular Formula C25H23FN4O2S
Exact Mass 462.152575 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LbyrmD2UjuU
Name 2-({5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-fluorophenyl)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/C25H23FN4O2S/c1-17-12-13-20(14-18(17)2)32-15-23-28-29-25(30(23)19-8-4-3-5-9-19)33-16-24(31)27-22-11-7-6-10-21(22)26/h3-14H,15-16H2,1-2H3,(H,27,31)
InChIKey JJTBYEYRLVCDHU-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_1796
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/9233473; Labnumber: LP-2190466
Temperature 303 °C