| SpectraBase Spectrum ID |
HGGqp2KuaC9 |
| Name |
1H-Isoindole-5-carboxylic acid, 2-(2,5-dimethylphenyl)-2,3-dihydro-1,3-dioxo-, 2-(4-bromophenyl)-2-oxoethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
491.036835679 u |
| Formula |
C25H18BrNO5 |
| InChI |
InChI=1S/C25H18BrNO5/c1-14-3-4-15(2)21(11-14)27-23(29)19-10-7-17(12-20(19)24(27)30)25(31)32-13-22(28)16-5-8-18(26)9-6-16/h3-12H,13H2,1-2H3 |
| InChIKey |
WEDJLEBQWZNSNY-UHFFFAOYSA-N |
| Molecular Weight |
492.325 g/mol |
| SMILES |
CC=1C=C(N2C(C=3C=C(C(OCC(C=4C=CC(=CC4)Br)=O)=O)C=CC3C2=O)=O)C(=CC1)C |
