| SpectraBase Spectrum ID |
3IzaejLsDz6 |
| Name |
2-Chloro-11-oxatetracyclo[4.4.0.1(3,9).1(4,8)]dodecane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
198.081142802 u |
| Formula |
C11H15ClO |
| InChI |
InChI=1S/C11H15ClO/c12-10-8-4-9-6-1-5(8)2-7(3-6)11(10)13-9/h5-11H,1-4H2/t5-,6+,7-,8-,9+,10-,11+/m0/s1 |
| InChIKey |
NGBZMKSYOPLHRI-BBUCRRSLSA-N |
| Molecular Weight |
198.693 g/mol |
| SMILES |
[C@]12([C@@]3([C@]([C@@]4([C@](C2)(C[C@](C1)([C@@](C4)(O3)[H])[H])[H])[H])(Cl)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942105 |
![2-Chloro-11-oxatetracyclo[4.4.0.1(3,9).1(4,8)]dodecane](/api/spectrum/3IzaejLsDz6/structure.png?h=300&w=458 "2-Chloro-11-oxatetracyclo[4.4.0.1(3,9).1(4,8)]dodecane")
