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

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

Benzenepropanoic acid, alpha-acetyl-2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)-alpha-methyl-,ethyl ester
SpectraBase Compound ID LviYsmzphYs
InChI InChI=1S/C22H23ClFNO5/c1-4-30-21(29)22(3,12(2)26)11-13-9-18(17(24)10-16(13)23)25-19(27)14-7-5-6-8-15(14)20(25)28/h9-10H,4-8,11H2,1-3H3
InChIKey DAIWXWXKGBEITR-UHFFFAOYSA-N
Mol Weight 435.88 g/mol
Molecular Formula C22H23ClFNO5
Exact Mass 435.124879 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID FRJh7Ca2Qvt
Name Benzenepropanoic acid, alpha-acetyl-2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)-alpha-methyl-,ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 435.124878703 u
Formula C22H23ClFNO5
InChI InChI=1S/C22H23ClFNO5/c1-4-30-21(29)22(3,12(2)26)11-13-9-18(17(24)10-16(13)23)25-19(27)14-7-5-6-8-15(14)20(25)28/h9-10H,4-8,11H2,1-3H3
InChIKey DAIWXWXKGBEITR-UHFFFAOYSA-N
Molecular Weight 435.879 g/mol
SMILES C1(N(C(C=2CCCCC12)=O)C1=C(C=C(C(=C1)CC(C)(C(=O)OCC)C(C)=O)Cl)F)=O
Spectrum/Structure Validation Score (Raman) 0.878221