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{[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}(phenyl)acetic acid

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{[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}(phenyl)acetic acid
SpectraBase Compound ID FQm6tKngNuv
InChI InChI=1S/C23H17F3N2O4S/c1-31-18-9-8-14(10-19(18)32-2)17-11-16(23(24,25)26)15(12-27)21(28-17)33-20(22(29)30)13-6-4-3-5-7-13/h3-11,20H,1-2H3,(H,29,30)
InChIKey OJDHSENKCJMDKB-UHFFFAOYSA-N
Mol Weight 474.45 g/mol
Molecular Formula C23H17F3N2O4S
Exact Mass 474.086113 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JV0Ypiupjv7
Name {[3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}(phenyl)acetic acid
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/C23H17F3N2O4S/c1-31-18-9-8-14(10-19(18)32-2)17-11-16(23(24,25)26)15(12-27)21(28-17)33-20(22(29)30)13-6-4-3-5-7-13/h3-11,20H,1-2H3,(H,29,30)
InChIKey OJDHSENKCJMDKB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25654
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: D60525; Labnumber: SHES3-0292; SBI_ID: SBI-025658
Temperature 308 °C