| SpectraBase Spectrum ID |
DfGkS5Vnp7e |
| Name |
2-[4-[2-(4-Bromoanilino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]-4-oxobutyl]isoindole-1,3-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
508.099770289 u |
| Formula |
C26H25BrN2O4 |
| InChI |
InChI=1S/C26H25BrN2O4/c1-26(2)14-20(28-17-11-9-16(27)10-12-17)23(22(31)15-26)21(30)8-5-13-29-24(32)18-6-3-4-7-19(18)25(29)33/h3-4,6-7,9-12,28H,5,8,13-15H2,1-2H3 |
| InChIKey |
NGYAZNUSMJKRLQ-UHFFFAOYSA-N |
| Molecular Weight |
509.400 g/mol |
| SMILES |
C=1C=C2C(N(C(C2=CC1)=O)CCCC(C1=C(NC2=CC=C(Br)C=C2)CC(CC1=O)(C)C)=O)=O |
![2-[4-[2-(4-Bromoanilino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]-4-oxobutyl]isoindole-1,3-dione](/api/spectrum/DfGkS5Vnp7e/structure.png?h=300&w=458 "2-[4-[2-(4-Bromoanilino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]-4-oxobutyl]isoindole-1,3-dione")
