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2,3-Dioxo-5-indolineacetic acid, ethyl ester

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

2,3-Dioxo-5-indolineacetic acid, ethyl ester
SpectraBase Compound ID 4vd7Hu59ynr
InChI InChI=1S/C12H11NO4/c1-2-17-10(14)6-7-3-4-9-8(5-7)11(15)12(16)13-9/h3-5H,2,6H2,1H3,(H,13,15,16)
InChIKey MGGRRXFPHDNBQF-UHFFFAOYSA-N
Mol Weight 233.22 g/mol
Molecular Formula C12H11NO4
Exact Mass 233.068808 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 6VhS0kkJSYM
Name 2,3-Dioxo-5-indolineacetic acid, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.068807834 u
Formula C12H11NO4
InChI InChI=1S/C12H11NO4/c1-2-17-10(14)6-7-3-4-9-8(5-7)11(15)12(16)13-9/h3-5H,2,6H2,1H3,(H,13,15,16)
InChIKey MGGRRXFPHDNBQF-UHFFFAOYSA-N
Molecular Weight 233.223 g/mol
SMILES C(=O)(OCC)CC1=CC2=C(NC(=O)C2=O)C=C1
Spectrum/Structure Validation Score (Raman) 0.871277