![2,6-Dimethylbicyclo[3.1.1]heptane-6-ethanol](/api/spectrum/i5My8od7Eq/structure.png?h=300&w=458 "2,6-Dimethylbicyclo[3.1.1]heptane-6-ethanol")
| SpectraBase Compound ID | BiVhHDWkfEd |
|---|---|
| InChI | InChI=1S/C11H20O/c1-8-3-4-9-7-10(8)11(9,2)5-6-12/h8-10,12H,3-7H2,1-2H3 |
| InChIKey | KMJLPINCMNVWOU-UHFFFAOYSA-N |
| Mol Weight | 168.28 g/mol |
| Molecular Formula | C11H20O |
| Exact Mass | 168.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | i5My8od7Eq |
|---|---|
| Name | 2,6-Dimethylbicyclo[3.1.1]heptane-6-ethanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.151415263 u |
| Formula | C11H20O |
| InChI | InChI=1S/C11H20O/c1-8-3-4-9-7-10(8)11(9,2)5-6-12/h8-10,12H,3-7H2,1-2H3 |
| InChIKey | KMJLPINCMNVWOU-UHFFFAOYSA-N |
| Molecular Weight | 168.280 g/mol |
| SMILES | C1(C2C(C)CCC1C2)(CCO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88568 |