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3-({[2-(3,4-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)benzoic acid
SpectraBase Compound ID 5Io33ExrzMy
InChI InChI=1S/C24H18N2O5/c1-13-6-8-18(10-14(13)2)26-22(28)19-9-7-15(12-20(19)23(26)29)21(27)25-17-5-3-4-16(11-17)24(30)31/h3-12H,1-2H3,(H,25,27)(H,30,31)
InChIKey XJFROCIJPWIDOC-UHFFFAOYSA-N
Mol Weight 414.42 g/mol
Molecular Formula C24H18N2O5
Exact Mass 414.121572 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5z6Wxm6oUol
Name 3-({[2-(3,4-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)benzoic acid
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/C24H18N2O5/c1-13-6-8-18(10-14(13)2)26-22(28)19-9-7-15(12-20(19)23(26)29)21(27)25-17-5-3-4-16(11-17)24(30)31/h3-12H,1-2H3,(H,25,27)(H,30,31)
InChIKey XJFROCIJPWIDOC-UHFFFAOYSA-N
NMR Offset 15.3267
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_3499
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: ZI/7040758; Labnumber: KWN-0003211; IOH_ID: IOH-003500
Temperature 313 °C