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

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7-quinazolinecarboxylic acid, 3-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-2-[[2-[(2-methoxyphenyl)amino]-2-oxoethyl]thio]-4-oxo-, methyl ester
SpectraBase Compound ID IQCCXTV8loA
InChI InChI=1S/C27H23N3O7S/c1-34-21-6-4-3-5-19(21)28-24(31)14-38-27-29-20-12-17(26(33)35-2)8-9-18(20)25(32)30(27)13-16-7-10-22-23(11-16)37-15-36-22/h3-12H,13-15H2,1-2H3,(H,28,31)
InChIKey IDENUASBNQCSIG-UHFFFAOYSA-N
Mol Weight 533.56 g/mol
Molecular Formula C27H23N3O7S
Exact Mass 533.125671 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LsEVlPldQ9G
Name 7-quinazolinecarboxylic acid, 3-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-2-[[2-[(2-methoxyphenyl)amino]-2-oxoethyl]thio]-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/C27H23N3O7S/c1-34-21-6-4-3-5-19(21)28-24(31)14-38-27-29-20-12-17(26(33)35-2)8-9-18(20)25(32)30(27)13-16-7-10-22-23(11-16)37-15-36-22/h3-12H,13-15H2,1-2H3,(H,28,31)
InChIKey IDENUASBNQCSIG-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6987
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/10328190