| SpectraBase Compound ID | 5XUzactJUh4 |
|---|---|
| InChI | InChI=1S/C12H18O/c1-9(2)12(13)8-11-7-5-4-6-10(11)3/h4-7,9,12-13H,8H2,1-3H3 |
| InChIKey | AYSQFZWGEYQSLR-UHFFFAOYSA-N |
| Mol Weight | 178.27 g/mol |
| Molecular Formula | C12H18O |
| Exact Mass | 178.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 39gvb4T8IMo |
|---|---|
| Name | 3-Methyl-1-(2-methylphenyl)-2-butanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.135765199 u |
| Formula | C12H18O |
| InChI | InChI=1S/C12H18O/c1-9(2)12(13)8-11-7-5-4-6-10(11)3/h4-7,9,12-13H,8H2,1-3H3 |
| InChIKey | AYSQFZWGEYQSLR-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C(C=1C(C)=CC=CC1)C(C(C)C)O |