| SpectraBase Spectrum ID |
1yqT7T7JrKf |
| Name |
(1S,6R)-3,4-Cyclopenta-8,8-dichlorobicyclo[4.2.0]oct-3-en-7-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
230.026520405 u |
| Formula |
C11H12Cl2O |
| InChI |
InChI=1S/C11H12Cl2O/c12-11(13)9-5-7-3-1-2-6(7)4-8(9)10(11)14/h8-9H,1-5H2 |
| InChIKey |
LJRKDCIJWDZXGR-UHFFFAOYSA-N |
| Molecular Weight |
231.122 g/mol |
| SMILES |
C1(C2CC=3CCCC3CC2C1=O)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860271 |
![(1S,6R)-3,4-Cyclopenta-8,8-dichlorobicyclo[4.2.0]oct-3-en-7-one](/api/spectrum/1yqT7T7JrKf/structure.png?h=300&w=458 "(1S,6R)-3,4-Cyclopenta-8,8-dichlorobicyclo[4.2.0]oct-3-en-7-one")
