| SpectraBase Spectrum ID |
GDd0Hmbn34s |
| Name |
1H-Isoindole-2-acetic acid, alpha-butyl-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 |
457.052485743 u |
| Formula |
C22H20BrNO5 |
| InChI |
InChI=1S/C22H20BrNO5/c1-2-3-8-18(24-20(26)16-6-4-5-7-17(16)21(24)27)22(28)29-13-19(25)14-9-11-15(23)12-10-14/h4-7,9-12,18H,2-3,8,13H2,1H3 |
| InChIKey |
SGHCGSHLIOCPCC-UHFFFAOYSA-N |
| Molecular Weight |
458.308 g/mol |
| SMILES |
CCCCC(N1C(C=2C=CC=CC2C1=O)=O)C(OCC(C1=CC=C(C=C1)Br)=O)=O |
