| SpectraBase Spectrum ID |
Gf0MrobqnIW |
| Name |
1,3-Benzenedicarboxylic acid, 5-(1,3-dihydro-5-methyl-1,3-dioxo-2H-isoindol-2-yl)-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.089937201 u |
| Formula |
C19H15NO6 |
| InChI |
InChI=1S/C19H15NO6/c1-10-4-5-14-15(6-10)17(22)20(16(14)21)13-8-11(18(23)25-2)7-12(9-13)19(24)26-3/h4-9H,1-3H3 |
| InChIKey |
JPLZBQXURAUUAY-UHFFFAOYSA-N |
| Molecular Weight |
353.330 g/mol |
| SMILES |
COC(=O)C1=CC(=CC(=C1)C(=O)OC)N1C(=O)C2=CC=C(C=C2C1=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946828 |
