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2H-isoindole-2-butanoic acid, 5-carboxy-1,3-dihydro-1,3-dioxo-
SpectraBase Compound ID Hp78cJZVytA
InChI InChI=1S/C13H11NO6/c15-10(16)2-1-5-14-11(17)8-4-3-7(13(19)20)6-9(8)12(14)18/h3-4,6H,1-2,5H2,(H,15,16)(H,19,20)
InChIKey BZPBNBIIOBUSRW-UHFFFAOYSA-N
Mol Weight 277.23 g/mol
Molecular Formula C13H11NO6
Exact Mass 277.058637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K8bkrG0YZnp
Name 2H-isoindole-2-butanoic acid, 5-carboxy-1,3-dihydro-1,3-dioxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO6
InChI InChI=1S/C13H11NO6/c15-10(16)2-1-5-14-11(17)8-4-3-7(13(19)20)6-9(8)12(14)18/h3-4,6H,1-2,5H2,(H,15,16)(H,19,20)
InChIKey BZPBNBIIOBUSRW-UHFFFAOYSA-N
Molecular Weight 277.232 g/mol
SMILES OC(CCCN1C(c2ccc(C(O)=O)cc2C1=O)=O)=O
SPLASH splash10-0gb9-1290000000-1ef7940a5e69c5b5a19a
Source of Spectrum JX-2015-2-788
Synonyms 2-(3-carboxypropyl)-1,3-dioxoisoindoline-5-carboxylic acid 2-(3-carboxypropyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid 2-(3-carboxypropyl)-1,3-dioxo-5-isoindolecarboxylic acid 2-(3-carboxypropyl)-1,3-dioxoisoindole-5-carboxylic acid 2-(3-carboxypropyl)-1,3-dioxo-isoindoline-5-carboxylic acid 1,3-Bis(oxidanylidene)-2-(4-oxidanyl-4-oxidanylidene-butyl)isoindole-5-carboxylic acid
Wiley ID 1722484