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

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

Benzenepropanoic acid, 2,4-dichloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)-alpha,alpha-dimethyl-, ethyl ester
SpectraBase Compound ID Hcpdnf4RhIS
InChI InChI=1S/C21H23Cl2NO4/c1-4-28-20(27)21(2,3)11-12-9-17(16(23)10-15(12)22)24-18(25)13-7-5-6-8-14(13)19(24)26/h9-10H,4-8,11H2,1-3H3
InChIKey BYSXEZJXRSHTHS-UHFFFAOYSA-N
Mol Weight 424.32 g/mol
Molecular Formula C21H23Cl2NO4
Exact Mass 423.100414 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID IONO1dY1Z8j
Name Benzenepropanoic acid, 2,4-dichloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)-alpha,alpha-dimethyl-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.100413621 u
Formula C21H23Cl2NO4
InChI InChI=1S/C21H23Cl2NO4/c1-4-28-20(27)21(2,3)11-12-9-17(16(23)10-15(12)22)24-18(25)13-7-5-6-8-14(13)19(24)26/h9-10H,4-8,11H2,1-3H3
InChIKey BYSXEZJXRSHTHS-UHFFFAOYSA-N
Molecular Weight 424.324 g/mol
SMILES C1(N(C(C=2CCCCC12)=O)C1=C(C=C(C(=C1)CC(C(OCC)=O)(C)C)Cl)Cl)=O
Spectrum/Structure Validation Score (Raman) 0.868744