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pyrido[2,3-d]pyrimidin-4(1H)-one, 1-cyclopropyl-7-[4-(1,1-dimethylethyl)phenyl]-2-mercapto-5-(trifluoromethyl)-
SpectraBase Compound ID AHqs9Jc6aoj
InChI InChI=1S/C21H20F3N3OS/c1-20(2,3)12-6-4-11(5-7-12)15-10-14(21(22,23)24)16-17(25-15)27(13-8-9-13)19(29)26-18(16)28/h4-7,10,13H,8-9H2,1-3H3,(H,26,28,29)
InChIKey JBFLSAXYHPKKPG-UHFFFAOYSA-N
Mol Weight 419.47 g/mol
Molecular Formula C21H20F3N3OS
Exact Mass 419.127918 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 19HtBkCVWEA
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 1-cyclopropyl-7-[4-(1,1-dimethylethyl)phenyl]-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/C21H20F3N3OS/c1-20(2,3)12-6-4-11(5-7-12)15-10-14(21(22,23)24)16-17(25-15)27(13-8-9-13)19(29)26-18(16)28/h4-7,10,13H,8-9H2,1-3H3,(H,26,28,29)
InChIKey JBFLSAXYHPKKPG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23324
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: 2278518; UZI_ID: UZI-023332
Temperature 308 °C