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benzoic acid, 3-(octahydro-1,3-dioxo-2H-isoindol-2-yl)-, 3-methylphenyl ester

View entire compound with spectra: 2 NMR

benzoic acid, 3-(octahydro-1,3-dioxo-2H-isoindol-2-yl)-, 3-methylphenyl ester
SpectraBase Compound ID ErWW18Al9Qm
InChI InChI=1S/C22H21NO4/c1-14-6-4-9-17(12-14)27-22(26)15-7-5-8-16(13-15)23-20(24)18-10-2-3-11-19(18)21(23)25/h4-9,12-13,18-19H,2-3,10-11H2,1H3
InChIKey DVDGYTKIFIPSBU-UHFFFAOYSA-N
Mol Weight 363.41 g/mol
Molecular Formula C22H21NO4
Exact Mass 363.147058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lkq9bmjphI9
Name Benzoic acid, 3-(octahydro-1,3-dioxo-2H-isoindol-2-yl)-, 3-methylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.147058156 u
Formula C22H21NO4
InChI InChI=1S/C22H21NO4/c1-14-6-4-9-17(12-14)27-22(26)15-7-5-8-16(13-15)23-20(24)18-10-2-3-11-19(18)21(23)25/h4-9,12-13,18-19H,2-3,10-11H2,1H3
InChIKey DVDGYTKIFIPSBU-UHFFFAOYSA-N
Molecular Weight 363.413 g/mol
SMILES C1CC2C(N(C(C2CC1)=O)C1=CC(C(OC2=CC(C)=CC=C2)=O)=CC=C1)=O