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pyrido[2,3-d]pyrimidin-4(1H)-one, 2-mercapto-1-(2-methoxyethyl)-7-(4-methylphenyl)-5-(trifluoromethyl)-
SpectraBase Compound ID GebZOuTIfGx
InChI InChI=1S/C18H16F3N3O2S/c1-10-3-5-11(6-4-10)13-9-12(18(19,20)21)14-15(22-13)24(7-8-26-2)17(27)23-16(14)25/h3-6,9H,7-8H2,1-2H3,(H,23,25,27)
InChIKey CHKJVHFNRKMBJG-UHFFFAOYSA-N
Mol Weight 395.4 g/mol
Molecular Formula C18H16F3N3O2S
Exact Mass 395.091532 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5ErEkQVOdwE
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 2-mercapto-1-(2-methoxyethyl)-7-(4-methylphenyl)-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/C18H16F3N3O2S/c1-10-3-5-11(6-4-10)13-9-12(18(19,20)21)14-15(22-13)24(7-8-26-2)17(27)23-16(14)25/h3-6,9H,7-8H2,1-2H3,(H,23,25,27)
InChIKey CHKJVHFNRKMBJG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23725
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: 2283863; UZI_ID: UZI-023733
Temperature 308 °C