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7-quinazolinecarboxylic acid, 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[(3-chloro-4-methylphenyl)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-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl]thio]-3,4-dihydro-4-oxo-, methyl ester
SpectraBase Compound ID F78WKwcbQtk
InChI InChI=1S/C27H22ClN3O6S/c1-15-3-6-18(11-20(15)28)29-24(32)13-38-27-30-21-10-17(26(34)35-2)5-7-19(21)25(33)31(27)12-16-4-8-22-23(9-16)37-14-36-22/h3-11H,12-14H2,1-2H3,(H,29,32)
InChIKey HALHUNYNPSMRTO-UHFFFAOYSA-N
Mol Weight 552.0 g/mol
Molecular Formula C27H22ClN3O6S
Exact Mass 551.091784 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8Adq8H6LiyX
Name 7-quinazolinecarboxylic acid, 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[(3-chloro-4-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/C27H22ClN3O6S/c1-15-3-6-18(11-20(15)28)29-24(32)13-38-27-30-21-10-17(26(34)35-2)5-7-19(21)25(33)31(27)12-16-4-8-22-23(9-16)37-14-36-22/h3-11H,12-14H2,1-2H3,(H,29,32)
InChIKey HALHUNYNPSMRTO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_355
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/10318968