| SpectraBase Spectrum ID |
9XDBKFkEukl |
| Name |
1,3-Dioxo-alpha-methyl-2-isoindolineacetic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
233.068807834 u |
| Formula |
C12H11NO4 |
| InChI |
InChI=1S/C12H11NO4/c1-7(12(16)17-2)13-10(14)8-5-3-4-6-9(8)11(13)15/h3-7H,1-2H3 |
| InChIKey |
NNHVWQRYVXVZLH-UHFFFAOYSA-N |
| Molecular Weight |
233.223 g/mol |
| SMILES |
C=12C=CC=CC1C(N(C2=O)C(C(OC)=O)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.803935 |
