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7-quinazolinecarboxylic acid, 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[(2-chlorophenyl)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-[(2-chlorophenyl)amino]-2-oxoethyl]thio]-3,4-dihydro-4-oxo-, methyl ester
SpectraBase Compound ID FU20palox7K
InChI InChI=1S/C26H20ClN3O6S/c1-34-25(33)16-7-8-17-20(11-16)29-26(37-13-23(31)28-19-5-3-2-4-18(19)27)30(24(17)32)12-15-6-9-21-22(10-15)36-14-35-21/h2-11H,12-14H2,1H3,(H,28,31)
InChIKey LKGGZTXGUGEESD-UHFFFAOYSA-N
Mol Weight 537.97 g/mol
Molecular Formula C26H20ClN3O6S
Exact Mass 537.076134 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9hJOLUlfLTR
Name 7-quinazolinecarboxylic acid, 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[(2-chlorophenyl)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/C26H20ClN3O6S/c1-34-25(33)16-7-8-17-20(11-16)29-26(37-13-23(31)28-19-5-3-2-4-18(19)27)30(24(17)32)12-15-6-9-21-22(10-15)36-14-35-21/h2-11H,12-14H2,1H3,(H,28,31)
InChIKey LKGGZTXGUGEESD-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_352
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/10318965