| SpectraBase Compound ID | JuqJPehpoK3 |
|---|---|
| InChI | InChI=1S/C12H22O/c1-12(2,10-13)9-8-11-6-4-3-5-7-11/h8,13H,3-7,9-10H2,1-2H3 |
| InChIKey | MLUJOCXHNIVUBC-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 | 8HTJtFtnjB6 |
|---|---|
| Name | 1-Butanol, 4-cyclohexylidene-2,2-dimethyl- |
| 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/c1-12(2,10-13)9-8-11-6-4-3-5-7-11/h8,13H,3-7,9-10H2,1-2H3 |
| InChIKey | MLUJOCXHNIVUBC-UHFFFAOYSA-N |
| Molecular Weight | 182.307 g/mol |
| SMILES | OCC(CC=C1CCCCC1)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.973884 |