For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2H-Isoindole-2-acetic acid, 5-carboxy-1,3-dihydro-1,3-dioxo-

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

2H-Isoindole-2-acetic acid, 5-carboxy-1,3-dihydro-1,3-dioxo-
SpectraBase Compound ID 3MH04aUIChJ
InChI InChI=1S/C11H7NO6/c13-8(14)4-12-9(15)6-2-1-5(11(17)18)3-7(6)10(12)16/h1-3H,4H2,(H,13,14)(H,17,18)
InChIKey RPFFHROJAGNUIW-UHFFFAOYSA-N
Mol Weight 249.18 g/mol
Molecular Formula C11H7NO6
Exact Mass 249.027337 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6rc9tv5KkW0
Name 2H-Isoindole-2-acetic acid, 5-carboxy-1,3-dihydro-1,3-dioxo-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.027336943 u
Formula C11H7NO6
InChI InChI=1S/C11H7NO6/c13-8(14)4-12-9(15)6-2-1-5(11(17)18)3-7(6)10(12)16/h1-3H,4H2,(H,13,14)(H,17,18)
InChIKey RPFFHROJAGNUIW-UHFFFAOYSA-N
Molecular Weight 249.178 g/mol
SMILES C(O)(=O)CN1C(=O)C2=CC=C(C=C2C1=O)C(O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972422