| SpectraBase Spectrum ID |
D7uiJHl8IAP |
| Name |
Methyl 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 |
410.959868699 u |
| Formula |
C15H13Cl4NO4 |
| InChI |
InChI=1S/C15H13Cl4NO4/c1-24-7(21)5-3-2-4-6-20-14(22)8-9(15(20)23)11(17)13(19)12(18)10(8)16/h2-6H2,1H3 |
| InChIKey |
XOHMITCKJZXFMM-UHFFFAOYSA-N |
| Molecular Weight |
413.084 g/mol |
| SMILES |
C=1(C2=C(C(=C(C1Cl)Cl)Cl)C(N(C2=O)CCCCCC(OC)=O)=O)Cl |
