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benzoic acid, 3-(octahydro-5-methyl-1,3-dioxo-2H-isoindol-2-yl)-, 2,3-dimethylphenyl ester
SpectraBase Compound ID BTjOxr1rgWk
InChI InChI=1S/C24H25NO4/c1-14-10-11-19-20(12-14)23(27)25(22(19)26)18-8-5-7-17(13-18)24(28)29-21-9-4-6-15(2)16(21)3/h4-9,13-14,19-20H,10-12H2,1-3H3
InChIKey MZGRYAHUIMXANT-UHFFFAOYSA-N
Mol Weight 391.47 g/mol
Molecular Formula C24H25NO4
Exact Mass 391.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5JjzNOVQCIz
Name Benzoic acid, 3-(octahydro-5-methyl-1,3-dioxo-2H-isoindol-2-yl)-, 2,3-dimethylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 391.178358285 u
Formula C24H25NO4
InChI InChI=1S/C24H25NO4/c1-14-10-11-19-20(12-14)23(27)25(22(19)26)18-8-5-7-17(13-18)24(28)29-21-9-4-6-15(2)16(21)3/h4-9,13-14,19-20H,10-12H2,1-3H3
InChIKey MZGRYAHUIMXANT-UHFFFAOYSA-N
Molecular Weight 391.467 g/mol
SMILES CC1CC2C(N(C(C2CC1)=O)C1=CC(C(OC2=C(C(C)=CC=C2)C)=O)=CC=C1)=O