| SpectraBase Spectrum ID |
Js3qJBOlX9Q |
| Name |
1H-Isoindole-5-carboxylic acid, 2-(4-ethoxyphenyl)-2,3-dihydro-1,3-dioxo-, 1-methyl-2-oxo-2-phenylethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
443.136887394 u |
| Formula |
C26H21NO6 |
| InChI |
InChI=1S/C26H21NO6/c1-3-32-20-12-10-19(11-13-20)27-24(29)21-14-9-18(15-22(21)25(27)30)26(31)33-16(2)23(28)17-7-5-4-6-8-17/h4-16H,3H2,1-2H3 |
| InChIKey |
DIPADFDZANGECU-UHFFFAOYSA-N |
| Molecular Weight |
443.455 g/mol |
| SMILES |
C=1C=CC(C(C(OC(C2=CC=3C(N(C(C3C=C2)=O)C=2C=CC(=CC2)OCC)=O)=O)C)=O)=CC1 |
