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

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

Benzenepropanoic acid, alpha-acetyl-2-chloro-alpha-ethyl-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)-, ethyl ester
SpectraBase Compound ID 2rep1haoVDE
InChI InChI=1S/C23H26ClNO5/c1-4-23(14(3)26,22(29)30-5-2)13-15-12-16(10-11-19(15)24)25-20(27)17-8-6-7-9-18(17)21(25)28/h10-12H,4-9,13H2,1-3H3
InChIKey TZEJGPDZEZHYMA-UHFFFAOYSA-N
Mol Weight 431.92 g/mol
Molecular Formula C23H26ClNO5
Exact Mass 431.149951 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 7UVRLSVlVVX
Name Benzenepropanoic acid, alpha-acetyl-2-chloro-alpha-ethyl-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.149950636 u
Formula C23H26ClNO5
InChI InChI=1S/C23H26ClNO5/c1-4-23(14(3)26,22(29)30-5-2)13-15-12-16(10-11-19(15)24)25-20(27)17-8-6-7-9-18(17)21(25)28/h10-12H,4-9,13H2,1-3H3
InChIKey TZEJGPDZEZHYMA-UHFFFAOYSA-N
Molecular Weight 431.916 g/mol
SMILES C1(N(C(C=2CCCCC12)=O)C1=CC=C(C(=C1)CC(CC)(C(=O)C)C(OCC)=O)Cl)=O
Spectrum/Structure Validation Score (Raman) 0.784074