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pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(4-chlorophenyl)-1-cyclopentyl-2-mercapto-5-(trifluoromethyl)-
SpectraBase Compound ID BP6kWBqmIsW
InChI InChI=1S/C19H15ClF3N3OS/c20-11-7-5-10(6-8-11)14-9-13(19(21,22)23)15-16(24-14)26(12-3-1-2-4-12)18(28)25-17(15)27/h5-9,12H,1-4H2,(H,25,27,28)
InChIKey BFGIUOXXNUVGJD-UHFFFAOYSA-N
Mol Weight 425.86 g/mol
Molecular Formula C19H15ClF3N3OS
Exact Mass 425.057645 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KdUNSrajmIq
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(4-chlorophenyl)-1-cyclopentyl-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/C19H15ClF3N3OS/c20-11-7-5-10(6-8-11)14-9-13(19(21,22)23)15-16(24-14)26(12-3-1-2-4-12)18(28)25-17(15)27/h5-9,12H,1-4H2,(H,25,27,28)
InChIKey BFGIUOXXNUVGJD-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23310
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: 2278451; UZI_ID: UZI-023318
Temperature 308 °C