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Isoindole-5-carboxylic acid, 1,3-dihydro-2-(3-aminophenyl)-1,3-dioxo-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Isoindole-5-carboxylic acid, 1,3-dihydro-2-(3-aminophenyl)-1,3-dioxo-, methyl ester
SpectraBase Compound ID DjpK65eTi19
InChI InChI=1S/C16H12N2O4/c1-22-16(21)9-5-6-12-13(7-9)15(20)18(14(12)19)11-4-2-3-10(17)8-11/h2-8H,17H2,1H3
InChIKey DJLNSMTWXMCSFD-UHFFFAOYSA-N
Mol Weight 296.28 g/mol
Molecular Formula C16H12N2O4
Exact Mass 296.079707 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AINz4ONnV75
Name Isoindole-5-carboxylic acid, 1,3-dihydro-2-(3-aminophenyl)-1,3-dioxo-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.079706870 u
Formula C16H12N2O4
InChI InChI=1S/C16H12N2O4/c1-22-16(21)9-5-6-12-13(7-9)15(20)18(14(12)19)11-4-2-3-10(17)8-11/h2-8H,17H2,1H3
InChIKey DJLNSMTWXMCSFD-UHFFFAOYSA-N
Molecular Weight 296.282 g/mol
SMILES C1=C2C(=CC(=C1)C(OC)=O)C(=O)N(C2=O)C1=CC(=CC=C1)N