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pyrido[2,3-d]pyrimidine-5-carboxylic acid, 1,4-dihydro-2-mercapto-1-(3-methoxypropyl)-7-(4-methylphenyl)-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-methoxypropyl)-7-(4-methylphenyl)-4-oxo-, methyl ester
SpectraBase Compound ID KPFOyKqpnDJ
InChI InChI=1S/C20H21N3O4S/c1-12-5-7-13(8-6-12)15-11-14(19(25)27-3)16-17(21-15)23(9-4-10-26-2)20(28)22-18(16)24/h5-8,11H,4,9-10H2,1-3H3,(H,22,24,28)
InChIKey JIJVRYWWVGHAOP-UHFFFAOYSA-N
Mol Weight 399.47 g/mol
Molecular Formula C20H21N3O4S
Exact Mass 399.125277 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E2uh5nesPbh
Name pyrido[2,3-d]pyrimidine-5-carboxylic acid, 1,4-dihydro-2-mercapto-1-(3-methoxypropyl)-7-(4-methylphenyl)-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/C20H21N3O4S/c1-12-5-7-13(8-6-12)15-11-14(19(25)27-3)16-17(21-15)23(9-4-10-26-2)20(28)22-18(16)24/h5-8,11H,4,9-10H2,1-3H3,(H,22,24,28)
InChIKey JIJVRYWWVGHAOP-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_26120
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: 2174779; UZI_ID: UZI-026130
Temperature 308 °C