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

View entire compound with spectra: 1 NMR, and 2 FTIR

2-Propenoic acid, 3-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-2-methyl-, 2-methoxyethyl ester
SpectraBase Compound ID 6ko2miTfI7T
InChI InChI=1S/C21H22ClNO5/c1-13(21(26)28-10-9-27-2)11-14-12-15(7-8-18(14)22)23-19(24)16-5-3-4-6-17(16)20(23)25/h7-8,11-12H,3-6,9-10H2,1-2H3/b13-11+
InChIKey FKTRDYIEISSSPV-ACCUITESSA-N
Mol Weight 403.86 g/mol
Molecular Formula C21H22ClNO5
Exact Mass 403.118651 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9C25IL3fjbg
Name 2-Propenoic acid, 3-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-2-methyl-, 2-methoxyethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.118650507 u
Formula C21H22ClNO5
InChI InChI=1S/C21H22ClNO5/c1-13(21(26)28-10-9-27-2)11-14-12-15(7-8-18(14)22)23-19(24)16-5-3-4-6-17(16)20(23)25/h7-8,11-12H,3-6,9-10H2,1-2H3/b13-11+
InChIKey FKTRDYIEISSSPV-ACCUITESSA-N
Molecular Weight 403.862 g/mol
SMILES C1(N(C(C=2CCCCC12)=O)C1=CC=C(C(=C1)\C=C\(C(OCCOC)=O)C)Cl)=O