| SpectraBase Spectrum ID |
FnCBnjgDHmb |
| Name |
1,6,7,7-Tetrachlorobicyclo-[4.1.0]-heptan-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.917275612 u |
| Formula |
C7H6Cl4O |
| InChI |
InChI=1S/C7H6Cl4O/c8-5-2-1-4(12)3-6(5,9)7(5,10)11/h1-3H2/t5-,6+/m1/s1 |
| InChIKey |
KYENXYUUAWMXQT-RITPCOANSA-N |
| Molecular Weight |
247.936 g/mol |
| SMILES |
[C@@]12(Cl)[C@@](CCC(C2)=O)(Cl)C1(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82689 |
![1,6,7,7-Tetrachlorobicyclo-[4.1.0]-heptan-3-one](/api/spectrum/FnCBnjgDHmb/structure.png?h=300&w=458 "1,6,7,7-Tetrachlorobicyclo-[4.1.0]-heptan-3-one")
