| SpectraBase Spectrum ID |
6MqHJuQoZJi |
| Name |
1H-Isoindole-5-carboxylic acid, 2-[4-(butoxycarbonyl)phenyl]-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 |
563.057965045 u |
| Formula |
C28H22BrNO7 |
| InChI |
InChI=1S/C28H22BrNO7/c1-2-3-14-36-27(34)18-6-11-21(12-7-18)30-25(32)22-13-8-19(15-23(22)26(30)33)28(35)37-16-24(31)17-4-9-20(29)10-5-17/h4-13,15H,2-3,14,16H2,1H3 |
| InChIKey |
GDGLDFFRTUKEJJ-UHFFFAOYSA-N |
| Molecular Weight |
564.388 g/mol |
| SMILES |
CCCCOC(C=1C=CC(N2C(C=3C=C(C(OCC(C4=CC=C(C=C4)Br)=O)=O)C=CC3C2=O)=O)=CC1)=O |
![1H-isoindole-5-carboxylic acid, 2-[4-(butoxycarbonyl)phenyl]-2,3-dihydro-1,3-dioxo-, 2-(4-bromophenyl)-2-oxoethyl ester](/api/spectrum/6MqHJuQoZJi/structure.png?h=300&w=458 "1H-isoindole-5-carboxylic acid, 2-[4-(butoxycarbonyl)phenyl]-2,3-dihydro-1,3-dioxo-, 2-(4-bromophenyl)-2-oxoethyl ester")
