| SpectraBase Spectrum ID |
HZS2nlm9b3W |
| Name |
2-(4-Bromophenyl)-2-oxoethyl 6-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
592.896596414 u |
| Formula |
C22H16BrCl4NO5 |
| InChI |
InChI=1S/C22H16BrCl4NO5/c23-12-7-5-11(6-8-12)13(29)10-33-14(30)4-2-1-3-9-28-21(31)15-16(22(28)32)18(25)20(27)19(26)17(15)24/h5-8H,1-4,9-10H2 |
| InChIKey |
SBNNHGUHWPMWHY-UHFFFAOYSA-N |
| Molecular Weight |
596.088 g/mol |
| SMILES |
C12=C(C(=C(C(=C2C(N(C1=O)CCCCCC(OCC(=O)C1=CC=C(C=C1)Br)=O)=O)Cl)Cl)Cl)Cl |
