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pyrido[2,3-d]pyrimidine-5-carboxylic acid, 1,4-dihydro-2-mercapto-7-(3-nitrophenyl)-4-oxo-1-(1-phenylethyl)-
SpectraBase Compound ID EPKT3AviuyF
InChI InChI=1S/C22H16N4O5S/c1-12(13-6-3-2-4-7-13)25-19-18(20(27)24-22(25)32)16(21(28)29)11-17(23-19)14-8-5-9-15(10-14)26(30)31/h2-12H,1H3,(H,28,29)(H,24,27,32)
InChIKey CRHTWDAZRUZCIP-UHFFFAOYSA-N
Mol Weight 448.45 g/mol
Molecular Formula C22H16N4O5S
Exact Mass 448.084141 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FeOfWAxetNE
Name pyrido[2,3-d]pyrimidine-5-carboxylic acid, 1,4-dihydro-2-mercapto-7-(3-nitrophenyl)-4-oxo-1-(1-phenylethyl)-
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/C22H16N4O5S/c1-12(13-6-3-2-4-7-13)25-19-18(20(27)24-22(25)32)16(21(28)29)11-17(23-19)14-8-5-9-15(10-14)26(30)31/h2-12H,1H3,(H,28,29)(H,24,27,32)
InChIKey CRHTWDAZRUZCIP-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_26014
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: 2283671; UZI_ID: UZI-026024
Temperature 308 °C