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pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(4-chlorophenyl)-2-mercapto-1-(2-methoxyphenyl)-5-(trifluoromethyl)-
SpectraBase Compound ID INsgsE3VA7O
InChI InChI=1S/C21H13ClF3N3O2S/c1-30-16-5-3-2-4-15(16)28-18-17(19(29)27-20(28)31)13(21(23,24)25)10-14(26-18)11-6-8-12(22)9-7-11/h2-10H,1H3,(H,27,29,31)
InChIKey XYUQEOZVMAUJFV-UHFFFAOYSA-N
Mol Weight 463.86 g/mol
Molecular Formula C21H13ClF3N3O2S
Exact Mass 463.03691 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EdlY3zeylVP
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(4-chlorophenyl)-2-mercapto-1-(2-methoxyphenyl)-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/C21H13ClF3N3O2S/c1-30-16-5-3-2-4-15(16)28-18-17(19(29)27-20(28)31)13(21(23,24)25)10-14(26-18)11-6-8-12(22)9-7-11/h2-10H,1H3,(H,27,29,31)
InChIKey XYUQEOZVMAUJFV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23354
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: 2278652; UZI_ID: UZI-023362
Temperature 308 °C