| SpectraBase Spectrum ID |
GmYmjv9d93f |
| Name |
2-Oxabicyclo[2.2.2]octane, 5-chloro-1,3,3-trimethyl-, (1.alpha.,4.alpha.,5.alpha.)-(.+-.)- |
| 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)6-8(7)11/h7-8H,4-6H2,1-3H3 |
| InChIKey |
HTLACPMOSUOZSQ-UHFFFAOYSA-N |
| Molecular Weight |
188.698 g/mol |
| SMILES |
C1(OC2(C)CCC1C(C2)Cl)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972084 |
![2-Oxabicyclo[2.2.2]octane, 5-chloro-1,3,3-trimethyl-, (1.alpha.,4.alpha.,5.alpha.)-(.+-.)-](/api/spectrum/GmYmjv9d93f/structure.png?h=300&w=458 "2-Oxabicyclo[2.2.2]octane, 5-chloro-1,3,3-trimethyl-, (1.alpha.,4.alpha.,5.alpha.)-(.+-.)-")
