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{[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl}(phenyl)acetic acid
SpectraBase Compound ID GhYbD61QTCy
InChI InChI=1S/C27H20N2O3S/c1-32-21-14-12-18(13-15-21)22-16-24(19-8-4-2-5-9-19)29-26(23(22)17-28)33-25(27(30)31)20-10-6-3-7-11-20/h2-16,25H,1H3,(H,30,31)
InChIKey IFMGTLTZCRHHQT-UHFFFAOYSA-N
Mol Weight 452.53 g/mol
Molecular Formula C27H20N2O3S
Exact Mass 452.119464 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CyiIi5xfzDB
Name {[3-cyano-4-(4-methoxyphenyl)-6-phenyl-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/C27H20N2O3S/c1-32-21-14-12-18(13-15-21)22-16-24(19-8-4-2-5-9-19)29-26(23(22)17-28)33-25(27(30)31)20-10-6-3-7-11-20/h2-16,25H,1H3,(H,30,31)
InChIKey IFMGTLTZCRHHQT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_10562
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: 132648; Labnumber: SHES1-207; VK_ID: VK-010566
Temperature 308 °C