![alpha,alpha,4-Trimethylbicyclo[2.2.2]octane-1-methanol](/api/spectrum/26F4dVoxZ7u/structure.png?h=300&w=458 "alpha,alpha,4-Trimethylbicyclo[2.2.2]octane-1-methanol")
| SpectraBase Compound ID | 4eYQK6MO86b |
|---|---|
| InChI | InChI=1S/C12H22O/c1-10(2,13)12-7-4-11(3,5-8-12)6-9-12/h13H,4-9H2,1-3H3 |
| InChIKey | FKBLUVDOHCWWBL-UHFFFAOYSA-N |
| Mol Weight | 182.31 g/mol |
| Molecular Formula | C12H22O |
| Exact Mass | 182.167065 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 26F4dVoxZ7u |
|---|---|
| Name | alpha,alpha,4-Trimethylbicyclo[2.2.2]octane-1-methanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.167065327 u |
| Formula | C12H22O |
| InChI | InChI=1S/C12H22O/c1-10(2,13)12-7-4-11(3,5-8-12)6-9-12/h13H,4-9H2,1-3H3 |
| InChIKey | FKBLUVDOHCWWBL-UHFFFAOYSA-N |
| Molecular Weight | 182.307 g/mol |
| SMILES | OC(C12CCC(CC2)(C)CC1)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.974662 |