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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-
SpectraBase Compound ID 5h77PTg7NCv
InChI InChI=1S/C22H15N3O5S/c1-11-3-2-4-13(7-11)25-19-18(20(26)24-22(25)31)14(21(27)28)9-15(23-19)12-5-6-16-17(8-12)30-10-29-16/h2-9H,10H2,1H3,(H,27,28)(H,24,26,31)
InChIKey FXXNDRNORGSAGU-UHFFFAOYSA-N
Mol Weight 433.44 g/mol
Molecular Formula C22H15N3O5S
Exact Mass 433.073242 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lrj3DPDarU0
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-
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/C22H15N3O5S/c1-11-3-2-4-13(7-11)25-19-18(20(26)24-22(25)31)14(21(27)28)9-15(23-19)12-5-6-16-17(8-12)30-10-29-16/h2-9H,10H2,1H3,(H,27,28)(H,24,26,31)
InChIKey FXXNDRNORGSAGU-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23702
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: 2283792; UZI_ID: UZI-023710
Temperature 308 °C