| SpectraBase Spectrum ID |
aK9t2FMGrl |
| Name |
1H-Isoindole-5-carboxylic acid, 2-(4-acetylphenyl)-2,3-dihydro-1,3-dioxo-, 2-(4-methoxyphenyl)-2-oxoethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
457.116151949 u |
| Formula |
C26H19NO7 |
| InChI |
InChI=1S/C26H19NO7/c1-15(28)16-3-8-19(9-4-16)27-24(30)21-12-7-18(13-22(21)25(27)31)26(32)34-14-23(29)17-5-10-20(33-2)11-6-17/h3-13H,14H2,1-2H3 |
| InChIKey |
PFWIYUONBMYSJS-UHFFFAOYSA-N |
| Molecular Weight |
457.438 g/mol |
| SMILES |
COC=1C=CC(C(COC(C2=CC=3C(N(C(C3C=C2)=O)C=2C=CC(=CC2)C(=O)C)=O)=O)=O)=CC1 |
