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7-quinazolinecarboxylic acid, 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[ethyl(3-methylphenyl)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-[ethyl(3-methylphenyl)amino]-2-oxoethyl]thio]-3,4-dihydro-4-oxo-, methyl ester
SpectraBase Compound ID DSzqfDkcoBX
InChI InChI=1S/C29H27N3O6S/c1-4-31(21-7-5-6-18(2)12-21)26(33)16-39-29-30-23-14-20(28(35)36-3)9-10-22(23)27(34)32(29)15-19-8-11-24-25(13-19)38-17-37-24/h5-14H,4,15-17H2,1-3H3
InChIKey JAIMOFJSJXQSEB-UHFFFAOYSA-N
Mol Weight 545.61 g/mol
Molecular Formula C29H27N3O6S
Exact Mass 545.162057 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 281ghYuA59p
Name 7-quinazolinecarboxylic acid, 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[ethyl(3-methylphenyl)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/C29H27N3O6S/c1-4-31(21-7-5-6-18(2)12-21)26(33)16-39-29-30-23-14-20(28(35)36-3)9-10-22(23)27(34)32(29)15-19-8-11-24-25(13-19)38-17-37-24/h5-14H,4,15-17H2,1-3H3
InChIKey JAIMOFJSJXQSEB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6989
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/10328192