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4-Carboxy-2-oxo-3-indolinepropionic acid

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

4-Carboxy-2-oxo-3-indolinepropionic acid
SpectraBase Compound ID 2TqNOhvh4Sm
InChI InChI=1S/C12H11NO5/c14-9(15)5-4-6-10-7(12(17)18)2-1-3-8(10)13-11(6)16/h1-3,6H,4-5H2,(H,13,16)(H,14,15)(H,17,18)
InChIKey NCPPVAJUROLVBI-UHFFFAOYSA-N
Mol Weight 249.22 g/mol
Molecular Formula C12H11NO5
Exact Mass 249.063722 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID HEngatRnHeR
Name 4-Carboxy-2-oxo-3-indolinepropionic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.063722453 u
Formula C12H11NO5
InChI InChI=1S/C12H11NO5/c14-9(15)5-4-6-10-7(12(17)18)2-1-3-8(10)13-11(6)16/h1-3,6H,4-5H2,(H,13,16)(H,14,15)(H,17,18)
InChIKey NCPPVAJUROLVBI-UHFFFAOYSA-N
Molecular Weight 249.222 g/mol
SMILES N1C=2C=CC=C(C2C(CCC(O)=O)C1=O)C(O)=O
Spectrum/Structure Validation Score (Raman) 0.735929