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7-quinazolinecarboxylic acid, 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl]thio]-3,4-dihydro-4-oxo-, methyl ester

View entire compound with spectra: 1 NMR

7-quinazolinecarboxylic acid, 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl]thio]-3,4-dihydro-4-oxo-, methyl ester
SpectraBase Compound ID 1FqGhb6uF5k
InChI InChI=1S/C28H25N3O8S/c1-35-18-6-8-20(23(12-18)36-2)29-25(32)14-40-28-30-21-11-17(27(34)37-3)5-7-19(21)26(33)31(28)13-16-4-9-22-24(10-16)39-15-38-22/h4-12H,13-15H2,1-3H3,(H,29,32)
InChIKey RANMUUPBVKNAAP-UHFFFAOYSA-N
Mol Weight 563.58 g/mol
Molecular Formula C28H25N3O8S
Exact Mass 563.136236 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1ZAG5XOKq19
Name 7-quinazolinecarboxylic acid, 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl]thio]-3,4-dihydro-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/C28H25N3O8S/c1-35-18-6-8-20(23(12-18)36-2)29-25(32)14-40-28-30-21-11-17(27(34)37-3)5-7-19(21)26(33)31(28)13-16-4-9-22-24(10-16)39-15-38-22/h4-12H,13-15H2,1-3H3,(H,29,32)
InChIKey RANMUUPBVKNAAP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_354
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/10318967