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2-(4-carboxyphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid
SpectraBase Compound ID 4FTDwLFkzF1
InChI InChI=1S/C16H9NO6/c18-13-11-6-3-9(16(22)23)7-12(11)14(19)17(13)10-4-1-8(2-5-10)15(20)21/h1-7H,(H,20,21)(H,22,23)
InChIKey PRBOQCWKGNKHPS-UHFFFAOYSA-N
Mol Weight 311.25 g/mol
Molecular Formula C16H9NO6
Exact Mass 311.042987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0CfNo6khPw
Name 2-(4-carboxyphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid
Comments Edited after expert review for air contamination - Original record with SpectrumID 1472094 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9NO6
InChI InChI=1S/C16H9NO6/c18-13-11-6-3-9(16(22)23)7-12(11)14(19)17(13)10-4-1-8(2-5-10)15(20)21/h1-7H,(H,20,21)(H,22,23)
InChIKey PRBOQCWKGNKHPS-UHFFFAOYSA-N
Molecular Weight 311.249 g/mol
SMILES OC(c1ccc(N2C(c3c(ccc(C(=O)O)c3)C2=O)=O)cc1)=O
SPLASH splash10-03di-5339000000-a87a808a1737b8355a7a
Synonyms 2-(4-carboxyphenyl)-1,3-diketo-isoindoline-5-carboxylic acid 2-(4-carboxyphenyl)-1,3-dioxo-5-isoindolecarboxylic acid 2-(4-carboxyphenyl)-1,3-dioxo-isoindoline-5-carboxylic acid 2-(4-carboxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
Wiley ID 1820973