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

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7-quinazolinecarboxylic acid, 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[(4-ethylphenyl)amino]-2-oxoethyl]thio]-3,4-dihydro-4-oxo-, methyl ester
SpectraBase Compound ID 6OJ8jkol0CG
InChI InChI=1S/C28H25N3O6S/c1-3-17-4-8-20(9-5-17)29-25(32)15-38-28-30-22-13-19(27(34)35-2)7-10-21(22)26(33)31(28)14-18-6-11-23-24(12-18)37-16-36-23/h4-13H,3,14-16H2,1-2H3,(H,29,32)
InChIKey PHGRBIIXIVKSSJ-UHFFFAOYSA-N
Mol Weight 531.58 g/mol
Molecular Formula C28H25N3O6S
Exact Mass 531.146407 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IJNzfHMunh0
Name 7-quinazolinecarboxylic acid, 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[(4-ethylphenyl)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/C28H25N3O6S/c1-3-17-4-8-20(9-5-17)29-25(32)15-38-28-30-22-13-19(27(34)35-2)7-10-21(22)26(33)31(28)14-18-6-11-23-24(12-18)37-16-36-23/h4-13H,3,14-16H2,1-2H3,(H,29,32)
InChIKey PHGRBIIXIVKSSJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_351
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/10318964