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

View entire compound with spectra: 1 NMR

pyrido[2,3-d]pyrimidine-5-carboxylic acid, 7-(1,3-benzodioxol-5-yl)-1,4-dihydro-2-mercapto-1-(3-methylphenyl)-4-oxo-, methyl ester
SpectraBase Compound ID DVqKGHDk0zf
InChI InChI=1S/C23H17N3O5S/c1-12-4-3-5-14(8-12)26-20-19(21(27)25-23(26)32)15(22(28)29-2)10-16(24-20)13-6-7-17-18(9-13)31-11-30-17/h3-10H,11H2,1-2H3,(H,25,27,32)
InChIKey JVPXHHYOATXERG-UHFFFAOYSA-N
Mol Weight 447.47 g/mol
Molecular Formula C23H17N3O5S
Exact Mass 447.088892 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BtLjcxeCDRZ
Name pyrido[2,3-d]pyrimidine-5-carboxylic acid, 7-(1,3-benzodioxol-5-yl)-1,4-dihydro-2-mercapto-1-(3-methylphenyl)-4-oxo-, methyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C23H17N3O5S/c1-12-4-3-5-14(8-12)26-20-19(21(27)25-23(26)32)15(22(28)29-2)10-16(24-20)13-6-7-17-18(9-13)31-11-30-17/h3-10H,11H2,1-2H3,(H,25,27,32)
InChIKey JVPXHHYOATXERG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23570
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: 2283321; UZI_ID: UZI-023578
Temperature 308 °C