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pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(4-chlorophenyl)-2-mercapto-1-(1-methylpropyl)-5-(trifluoromethyl)-
SpectraBase Compound ID 2nTcPoPvyK0
InChI InChI=1S/C18H15ClF3N3OS/c1-3-9(2)25-15-14(16(26)24-17(25)27)12(18(20,21)22)8-13(23-15)10-4-6-11(19)7-5-10/h4-9H,3H2,1-2H3,(H,24,26,27)
InChIKey MLKVYBYITNEZLL-UHFFFAOYSA-N
Mol Weight 413.85 g/mol
Molecular Formula C18H15ClF3N3OS
Exact Mass 413.057645 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bj1IOxBCvn5
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(4-chlorophenyl)-2-mercapto-1-(1-methylpropyl)-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/C18H15ClF3N3OS/c1-3-9(2)25-15-14(16(26)24-17(25)27)12(18(20,21)22)8-13(23-15)10-4-6-11(19)7-5-10/h4-9H,3H2,1-2H3,(H,24,26,27)
InChIKey MLKVYBYITNEZLL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23383
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: 2278763; UZI_ID: UZI-023391
Temperature 308 °C