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Isoindole-4-carboxylic acid, 2,3-dihydro3-oxo-2-phenyl-, ethyl ester

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

Isoindole-4-carboxylic acid, 2,3-dihydro3-oxo-2-phenyl-, ethyl ester
SpectraBase Compound ID GzoQq9AxqNX
InChI InChI=1S/C17H15NO3/c1-2-21-17(20)14-10-6-7-12-11-18(16(19)15(12)14)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3
InChIKey PUZPXYOVLXQEJO-UHFFFAOYSA-N
Mol Weight 281.31 g/mol
Molecular Formula C17H15NO3
Exact Mass 281.105193 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FXBQVSHQFf1
Name Isoindole-4-carboxylic acid, 2,3-DIHYDRO3-oxo-2-phenyl-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.105193344 u
Formula C17H15NO3
InChI InChI=1S/C17H15NO3/c1-2-21-17(20)14-10-6-7-12-11-18(16(19)15(12)14)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3
InChIKey PUZPXYOVLXQEJO-UHFFFAOYSA-N
SMILES C1=C2C(=C(C=C1)C(OCC)=O)C(=O)N(C2)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.847172