| SpectraBase Spectrum ID |
q4MBnNxItA |
| Name |
1,3-Dioxo-2-isoindolinepropionic acid, 9-anthrylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.131408092 u |
| Formula |
C26H19NO4 |
| InChI |
InChI=1S/C26H19NO4/c28-24(13-14-27-25(29)21-11-5-6-12-22(21)26(27)30)31-16-23-19-9-3-1-7-17(19)15-18-8-2-4-10-20(18)23/h1-12,15H,13-14,16H2 |
| InChIKey |
DCXCYYHFBVMGAI-UHFFFAOYSA-N |
| Molecular Weight |
409.441 g/mol |
| SMILES |
C1(=O)N(C(=O)C2=C1C=CC=C2)CCC(=O)OCC=1C2=C(C=C3C=CC=CC13)C=CC=C2 |
| Spectrum/Structure Validation Score (Raman) |
0.923452 |
