| SpectraBase Spectrum ID |
JcVaUA6cAJO |
| Name |
1H-Isoindole-5-carboxylic acid, 2,3-dihydro-2-[4-(methoxycarbonyl)phenyl]-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 |
521.011014852 u |
| Formula |
C25H16BrNO7 |
| InChI |
InChI=1S/C25H16BrNO7/c1-33-24(31)15-4-9-18(10-5-15)27-22(29)19-11-6-16(12-20(19)23(27)30)25(32)34-13-21(28)14-2-7-17(26)8-3-14/h2-12H,13H2,1H3 |
| InChIKey |
SUGWOHNYKGNRNM-UHFFFAOYSA-N |
| Molecular Weight |
522.307 g/mol |
| SMILES |
COC(C1=CC=C(N2C(C=3C=C(C(OCC(C=4C=CC(=CC4)Br)=O)=O)C=CC3C2=O)=O)C=C1)=O |
![1H-isoindole-5-carboxylic acid, 2,3-dihydro-2-[4-(methoxycarbonyl)phenyl]-1,3-dioxo-, 2-(4-bromophenyl)-2-oxoethyl ester](/api/spectrum/JcVaUA6cAJO/structure.png?h=300&w=458 "1H-isoindole-5-carboxylic acid, 2,3-dihydro-2-[4-(methoxycarbonyl)phenyl]-1,3-dioxo-, 2-(4-bromophenyl)-2-oxoethyl ester")
