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pyrido[2,3-d]pyrimidin-4(1H)-one, 7-[4-(1,1-dimethylethyl)phenyl]-1-(2-ethoxyphenyl)-2-mercapto-5-(trifluoromethyl)-
SpectraBase Compound ID C41KsWAhoTD
InChI InChI=1S/C26H24F3N3O2S/c1-5-34-20-9-7-6-8-19(20)32-22-21(23(33)31-24(32)35)17(26(27,28)29)14-18(30-22)15-10-12-16(13-11-15)25(2,3)4/h6-14H,5H2,1-4H3,(H,31,33,35)
InChIKey ZKTACTUZXLFQKP-UHFFFAOYSA-N
Mol Weight 499.55 g/mol
Molecular Formula C26H24F3N3O2S
Exact Mass 499.154133 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1VOYmvce9ls
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 7-[4-(1,1-dimethylethyl)phenyl]-1-(2-ethoxyphenyl)-2-mercapto-5-(trifluoromethyl)-
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/C26H24F3N3O2S/c1-5-34-20-9-7-6-8-19(20)32-22-21(23(33)31-24(32)35)17(26(27,28)29)14-18(30-22)15-10-12-16(13-11-15)25(2,3)4/h6-14H,5H2,1-4H3,(H,31,33,35)
InChIKey ZKTACTUZXLFQKP-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23489
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: 2279233; UZI_ID: UZI-023497
Temperature 308 °C