| SpectraBase Compound ID | GYEkcvJTbB3 |
|---|---|
| InChI | InChI=1S/C11H22O/c1-9-3-5-11(6-4-9)7-10(2)8-12/h9-12H,3-8H2,1-2H3 |
| InChIKey | OEHKBEIHFGKDKX-UHFFFAOYSA-N |
| Mol Weight | 170.3 g/mol |
| Molecular Formula | C11H22O |
| Exact Mass | 170.167065 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4kBuy0F2ptP |
|---|---|
| Name | Cyclohexanepropanol, beta,4-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.167065327 u |
| Formula | C11H22O |
| InChI | InChI=1S/C11H22O/c1-9-3-5-11(6-4-9)7-10(2)8-12/h9-12H,3-8H2,1-2H3 |
| InChIKey | OEHKBEIHFGKDKX-UHFFFAOYSA-N |
| Molecular Weight | 170.296 g/mol |
| SMILES | OCC(CC1CCC(CC1)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.910857 |