![1-[4-(2-Hydroxy-3,3-dimethylbutyl)phenyl]-3-pentanol](/api/spectrum/D9pSHUEW9gS/structure.png?h=300&w=458 "1-[4-(2-Hydroxy-3,3-dimethylbutyl)phenyl]-3-pentanol")
| SpectraBase Compound ID | KoSbbIIVSft |
|---|---|
| InChI | InChI=1S/C17H28O2/c1-5-15(18)11-10-13-6-8-14(9-7-13)12-16(19)17(2,3)4/h6-9,15-16,18-19H,5,10-12H2,1-4H3 |
| InChIKey | JRROAOAOMHEYPS-UHFFFAOYSA-N |
| Mol Weight | 264.41 g/mol |
| Molecular Formula | C17H28O2 |
| Exact Mass | 264.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D9pSHUEW9gS |
|---|---|
| Name | 1-[4-(2-Hydroxy-3,3-dimethylbutyl)phenyl]-3-pentanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.208930140 u |
| Formula | C17H28O2 |
| InChI | InChI=1S/C17H28O2/c1-5-15(18)11-10-13-6-8-14(9-7-13)12-16(19)17(2,3)4/h6-9,15-16,18-19H,5,10-12H2,1-4H3 |
| InChIKey | JRROAOAOMHEYPS-UHFFFAOYSA-N |
| Molecular Weight | 264.409 g/mol |
| SMILES | C(C(CC=1C=CC(=CC1)CCC(O)CC)O)(C)(C)C |