| SpectraBase Spectrum ID |
1k4vvoliLdZ |
| Name |
1,3-Dioxo-alpha-methyl-2-isoindolineacetic 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/c1-16(27-24(28)21-12-6-7-13-22(21)25(27)29)26(30)31-15-23-19-10-4-2-8-17(19)14-18-9-3-5-11-20(18)23/h2-14,16H,15H2,1H3 |
| InChIKey |
VDZXGLXZLRSAGS-UHFFFAOYSA-N |
| Molecular Weight |
409.441 g/mol |
| SMILES |
CC(N1C(C=2C=CC=CC2C1=O)=O)C(=O)OCC=1C2=C(C=C3C1C=CC=C3)C=CC=C2 |
| Spectrum/Structure Validation Score (Raman) |
0.726637 |
