| SpectraBase Spectrum ID |
BcGUGeGRWTE |
| Name |
(1rs,4sr,6sr)-6-Chloro-1,3,3-trimethyl-2-oxabicyclo-[2.2.2]-octane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
188.096792866 u |
| Formula |
C10H17ClO |
| InChI |
InChI=1S/C10H17ClO/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7-8H,4-6H2,1-3H3/t7-,8-,10+/m1/s1 |
| InChIKey |
XIXMBNLLXKABHJ-MRTMQBJTSA-N |
| Molecular Weight |
188.698 g/mol |
| SMILES |
[C@]1(Cl)(C[C@@]2(C(C)(C)O[C@@]1(C)CC2)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933384 |
![(1RS, 4Sr,6sr)-6-chloro-1,3,3-trimethyl-2-oxabicyclo-[2.2.2]-octane](/api/spectrum/BcGUGeGRWTE/structure.png?h=300&w=458 "(1RS, 4Sr,6sr)-6-chloro-1,3,3-trimethyl-2-oxabicyclo-[2.2.2]-octane")
