| SpectraBase Spectrum ID |
64Az3rumfyZ |
| Name |
1H-Isoindole-5-carboxylic acid, 2-(2,4-dimethylphenyl)-2,3-dihydro-1,3-dioxo-, 2-oxo-2-phenylethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
413.126322711 u |
| Formula |
C25H19NO5 |
| InChI |
InChI=1S/C25H19NO5/c1-15-8-11-21(16(2)12-15)26-23(28)19-10-9-18(13-20(19)24(26)29)25(30)31-14-22(27)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3 |
| InChIKey |
JXBGZEUHEBRDFP-UHFFFAOYSA-N |
| Molecular Weight |
413.429 g/mol |
| SMILES |
C=1C=CC(C(COC(C2=CC=3C(N(C(C3C=C2)=O)C=2C(=CC(=CC2)C)C)=O)=O)=O)=CC1 |
