| SpectraBase Spectrum ID |
I9iRjRVfpUt |
| Name |
2-Chloro-3-(8-chlorobicyclo[5.1.0]oct-8-yl)cyclooct-2-enone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.109856108 u |
| Formula |
C16H22Cl2 |
| InChI |
InChI=1S/C16H22Cl2/c17-13-8-4-1-3-7-12(11-13)16(18)14-9-5-2-6-10-15(14)16/h8,11,14-15H,1-7,9-10H2/b12-11+,13-8+ |
| InChIKey |
LLYUUJJRGHHTSC-FYXALXGLSA-N |
| SMILES |
C1(C2CCCCCC12)(\C1=C\C(=C/CCCC1)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852738 |
![2-Chloro-3-(8-chlorobicyclo[5.1.0]oct-8-yl)cyclooct-2-enone](/api/spectrum/I9iRjRVfpUt/structure.png?h=300&w=458 "2-Chloro-3-(8-chlorobicyclo[5.1.0]oct-8-yl)cyclooct-2-enone")
