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Cyclohexanecarboxylic acid, 1-[[2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]methyl]-, methyl ester

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

Cyclohexanecarboxylic acid, 1-[[2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]methyl]-, methyl ester
SpectraBase Compound ID DsxKScBrTzN
InChI InChI=1S/C23H25ClFNO4/c1-30-22(29)23(9-5-2-6-10-23)13-14-11-19(18(25)12-17(14)24)26-20(27)15-7-3-4-8-16(15)21(26)28/h11-12H,2-10,13H2,1H3
InChIKey UFJSSUXYHPZTOI-UHFFFAOYSA-N
Mol Weight 433.91 g/mol
Molecular Formula C23H25ClFNO4
Exact Mass 433.145614 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID FyZCOyHnrA4
Name Cyclohexanecarboxylic acid, 1-[[2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]methyl]-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 433.145614148 u
Formula C23H25ClFNO4
InChI InChI=1S/C23H25ClFNO4/c1-30-22(29)23(9-5-2-6-10-23)13-14-11-19(18(25)12-17(14)24)26-20(27)15-7-3-4-8-16(15)21(26)28/h11-12H,2-10,13H2,1H3
InChIKey UFJSSUXYHPZTOI-UHFFFAOYSA-N
Molecular Weight 433.907 g/mol
SMILES C1(N(C(C=2CCCCC12)=O)C1=C(C=C(C(=C1)CC1(CCCCC1)C(=O)OC)Cl)F)=O
Spectrum/Structure Validation Score (Raman) 0.950116