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pyrido[2,3-d]pyrimidin-4(1H)-one, 7-[4-(1,1-dimethylethyl)phenyl]-2-mercapto-1-(1-methylethyl)-5-(trifluoromethyl)-
SpectraBase Compound ID 9ITvI6YlwnB
InChI InChI=1S/C21H22F3N3OS/c1-11(2)27-17-16(18(28)26-19(27)29)14(21(22,23)24)10-15(25-17)12-6-8-13(9-7-12)20(3,4)5/h6-11H,1-5H3,(H,26,28,29)
InChIKey JTYBXMUAQIJYAI-UHFFFAOYSA-N
Mol Weight 421.48 g/mol
Molecular Formula C21H22F3N3OS
Exact Mass 421.143568 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 34qzM6qAZg9
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 7-[4-(1,1-dimethylethyl)phenyl]-2-mercapto-1-(1-methylethyl)-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/C21H22F3N3OS/c1-11(2)27-17-16(18(28)26-19(27)29)14(21(22,23)24)10-15(25-17)12-6-8-13(9-7-12)20(3,4)5/h6-11H,1-5H3,(H,26,28,29)
InChIKey JTYBXMUAQIJYAI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23238
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: 2278160; UZI_ID: UZI-023246
Temperature 308 °C