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7-quinazolinecarboxylic acid, 3-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-4-oxo-2-[[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]thio]-, methyl ester

View entire compound with spectra: 1 NMR

7-quinazolinecarboxylic acid, 3-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-4-oxo-2-[[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]thio]-, methyl ester
SpectraBase Compound ID G27X5yW1Jim
InChI InChI=1S/C27H20N4O6S/c1-35-26(34)17-6-7-19-20(11-17)29-27(38-14-18-12-24(32)30-9-3-2-4-23(30)28-18)31(25(19)33)13-16-5-8-21-22(10-16)37-15-36-21/h2-12H,13-15H2,1H3
InChIKey CCCDDKVYTTZYQD-UHFFFAOYSA-N
Mol Weight 528.54 g/mol
Molecular Formula C27H20N4O6S
Exact Mass 528.110356 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BMam68AXm4t
Name 7-quinazolinecarboxylic acid, 3-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-4-oxo-2-[[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]thio]-, 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/C27H20N4O6S/c1-35-26(34)17-6-7-19-20(11-17)29-27(38-14-18-12-24(32)30-9-3-2-4-23(30)28-18)31(25(19)33)13-16-5-8-21-22(10-16)37-15-36-21/h2-12H,13-15H2,1H3
InChIKey CCCDDKVYTTZYQD-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6992
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: NMR/10328195