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pyrido[2,3-d]pyrimidine-5-carboxylic acid, 1,4-dihydro-2-mercapto-1-(3-methylphenyl)-7-(3-nitrophenyl)-4-oxo-, methyl ester

View entire compound with spectra: 1 NMR

pyrido[2,3-d]pyrimidine-5-carboxylic acid, 1,4-dihydro-2-mercapto-1-(3-methylphenyl)-7-(3-nitrophenyl)-4-oxo-, methyl ester
SpectraBase Compound ID 3UqdSJcRgcr
InChI InChI=1S/C22H16N4O5S/c1-12-5-3-7-14(9-12)25-19-18(20(27)24-22(25)32)16(21(28)31-2)11-17(23-19)13-6-4-8-15(10-13)26(29)30/h3-11H,1-2H3,(H,24,27,32)
InChIKey XFLKFPXWINOAPN-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 Cb1JdSJJw2c
Name pyrido[2,3-d]pyrimidine-5-carboxylic acid, 1,4-dihydro-2-mercapto-1-(3-methylphenyl)-7-(3-nitrophenyl)-4-oxo-, methyl ester
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/c1-12-5-3-7-14(9-12)25-19-18(20(27)24-22(25)32)16(21(28)31-2)11-17(23-19)13-6-4-8-15(10-13)26(29)30/h3-11H,1-2H3,(H,24,27,32)
InChIKey XFLKFPXWINOAPN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23623
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: 2283510; UZI_ID: UZI-023631
Temperature 308 °C