| SpectraBase Compound ID | BrlINMDKNB9 |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-9(2)7-11(13)8-10-5-3-4-6-12(10)14/h3-6,9,11,13-14H,7-8H2,1-2H3 |
| InChIKey | IXQMVSAAKSEMLX-UHFFFAOYSA-N |
| Mol Weight | 194.27 g/mol |
| Molecular Formula | C12H18O2 |
| Exact Mass | 194.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EtrI1PO7BtF |
|---|---|
| Name | 1-(2-Hydroxyphenyl)-4-methyl-2-pentanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.130679818 u |
| Formula | C12H18O2 |
| InChI | InChI=1S/C12H18O2/c1-9(2)7-11(13)8-10-5-3-4-6-12(10)14/h3-6,9,11,13-14H,7-8H2,1-2H3 |
| InChIKey | IXQMVSAAKSEMLX-UHFFFAOYSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C=1(CC(CC(C)C)O)C(O)=CC=CC1 |