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 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
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 |