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Benzenepropanoic acid, 2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)-alpha,alpha-dimethyl-, 2-methoxyethyl ester

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

Benzenepropanoic acid, 2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)-alpha,alpha-dimethyl-, 2-methoxyethyl ester
SpectraBase Compound ID DohmSmjtBZs
InChI InChI=1S/C22H26ClNO5/c1-22(2,21(27)29-11-10-28-3)13-14-12-15(8-9-18(14)23)24-19(25)16-6-4-5-7-17(16)20(24)26/h8-9,12H,4-7,10-11,13H2,1-3H3
InChIKey FWNZJBODTSQKLJ-UHFFFAOYSA-N
Mol Weight 419.91 g/mol
Molecular Formula C22H26ClNO5
Exact Mass 419.149951 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 6GWET2MCRAH
Name Benzenepropanoic acid, 2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)-alpha,alpha-dimethyl-, 2-methoxyethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.149950636 u
Formula C22H26ClNO5
InChI InChI=1S/C22H26ClNO5/c1-22(2,21(27)29-11-10-28-3)13-14-12-15(8-9-18(14)23)24-19(25)16-6-4-5-7-17(16)20(24)26/h8-9,12H,4-7,10-11,13H2,1-3H3
InChIKey FWNZJBODTSQKLJ-UHFFFAOYSA-N
Molecular Weight 419.905 g/mol
SMILES C1(C=2CCCCC2C(=O)N1C1=CC=C(C(=C1)CC(C(OCCOC)=O)(C)C)Cl)=O
Spectrum/Structure Validation Score (Raman) 0.724783