| SpectraBase Compound ID | LLMGGbBrIgv |
|---|---|
| InChI | InChI=1S/C13H9NO5/c15-10-6-5-9(13(18)19-10)14-11(16)7-3-1-2-4-8(7)12(14)17/h1-4,9H,5-6H2 |
| InChIKey | ICDLEMPZXFCQEB-UHFFFAOYSA-N |
| Mol Weight | 259.22 g/mol |
| Molecular Formula | C13H9NO5 |
| Exact Mass | 259.048072 g/mol |
| SpectraBase Spectrum ID | 1yObI6MrTtV |
|---|---|
| Name | L-2-Phthalimidoglutaric anhydride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.048072389 u |
| Formula | C13H9NO5 |
| InChI | InChI=1S/C13H9NO5/c15-10-6-5-9(13(18)19-10)14-11(16)7-3-1-2-4-8(7)12(14)17/h1-4,9H,5-6H2 |
| InChIKey | ICDLEMPZXFCQEB-UHFFFAOYSA-N |
| SMILES | C=12C(N(C(C1C=CC=C2)=O)C1CCC(OC1=O)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.975951 |