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7-quinazolinecarboxylic acid, 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[[4-(ethoxycarbonyl)phenyl]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-[[4-(ethoxycarbonyl)phenyl]amino]-2-oxoethyl]thio]-3,4-dihydro-4-oxo-, methyl ester
SpectraBase Compound ID LFGCwlZ5Nfe
InChI InChI=1S/C29H25N3O8S/c1-3-38-28(36)18-5-8-20(9-6-18)30-25(33)15-41-29-31-22-13-19(27(35)37-2)7-10-21(22)26(34)32(29)14-17-4-11-23-24(12-17)40-16-39-23/h4-13H,3,14-16H2,1-2H3,(H,30,33)
InChIKey KOYJKOBJBKJRFP-UHFFFAOYSA-N
Mol Weight 575.59 g/mol
Molecular Formula C29H25N3O8S
Exact Mass 575.136236 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9BorNUbN1Fq
Name 7-quinazolinecarboxylic acid, 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[[4-(ethoxycarbonyl)phenyl]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/C29H25N3O8S/c1-3-38-28(36)18-5-8-20(9-6-18)30-25(33)15-41-29-31-22-13-19(27(35)37-2)7-10-21(22)26(34)32(29)14-17-4-11-23-24(12-17)40-16-39-23/h4-13H,3,14-16H2,1-2H3,(H,30,33)
InChIKey KOYJKOBJBKJRFP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6988
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/10328191