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

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

1,3-Dioxolane-4-carboxylic acid, 2-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-5-methyl-, methyl ester
SpectraBase Compound ID 9tiTbB0VIf
InChI InChI=1S/C20H20ClNO6/c1-10-16(19(25)26-2)28-20(27-10)14-9-11(7-8-15(14)21)22-17(23)12-5-3-4-6-13(12)18(22)24/h7-10,16,20H,3-6H2,1-2H3
InChIKey RHZPUHIVMFIHLI-UHFFFAOYSA-N
Mol Weight 405.83 g/mol
Molecular Formula C20H20ClNO6
Exact Mass 405.097915 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 2idxFPgjEKl
Name 1,3-Dioxolane-4-carboxylic acid, 2-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-5-methyl-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.097915062 u
Formula C20H20ClNO6
InChI InChI=1S/C20H20ClNO6/c1-10-16(19(25)26-2)28-20(27-10)14-9-11(7-8-15(14)21)22-17(23)12-5-3-4-6-13(12)18(22)24/h7-10,16,20H,3-6H2,1-2H3
InChIKey RHZPUHIVMFIHLI-UHFFFAOYSA-N
Molecular Weight 405.834 g/mol
SMILES C1(N(C(C=2CCCCC12)=O)C1=CC(=C(C=C1)Cl)C1OC(C(O1)C)C(OC)=O)=O
Spectrum/Structure Validation Score (Raman) 0.72692