| SpectraBase Spectrum ID |
2RVl5aIu58Q |
| Name |
1H-Isoindole-5-carboxylic acid, 2-(2,3-dichlorophenyl)-2,3-dihydro-1,3-dioxo-, phenylmethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.022163299 u |
| Formula |
C22H13Cl2NO4 |
| InChI |
InChI=1S/C22H13Cl2NO4/c23-17-7-4-8-18(19(17)24)25-20(26)15-10-9-14(11-16(15)21(25)27)22(28)29-12-13-5-2-1-3-6-13/h1-11H,12H2 |
| InChIKey |
YEYPVNNNSCKDIE-UHFFFAOYSA-N |
| Molecular Weight |
426.255 g/mol |
| SMILES |
C1=CC=C(COC(C2=CC=3C(N(C(C3C=C2)=O)C2=C(C(Cl)=CC=C2)Cl)=O)=O)C=C1 |
