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2-({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide

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2-({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 21wVRJWXnUL
InChI InChI=1S/C26H23F3N4O3S/c1-17-6-10-22(11-7-17)36-15-23-31-32-25(33(23)20-8-12-21(35-2)13-9-20)37-16-24(34)30-19-5-3-4-18(14-19)26(27,28)29/h3-14H,15-16H2,1-2H3,(H,30,34)
InChIKey WXQXXIGFQXRISL-UHFFFAOYSA-N
Mol Weight 528.55 g/mol
Molecular Formula C26H23F3N4O3S
Exact Mass 528.144296 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5JTdeT6I2R2
Name 2-({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]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/C26H23F3N4O3S/c1-17-6-10-22(11-7-17)36-15-23-31-32-25(33(23)20-8-12-21(35-2)13-9-20)37-16-24(34)30-19-5-3-4-18(14-19)26(27,28)29/h3-14H,15-16H2,1-2H3,(H,30,34)
InChIKey WXQXXIGFQXRISL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11491
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: E06401; Labnumber: GRES-21981; SBI_ID: SBI-011494
Temperature 308 °C