| SpectraBase Compound ID | KIgkH2SLwtQ |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-15(2,3)14(17)11-13(16)10-9-12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3 |
| InChIKey | YHHMWCHYXRGIRS-UHFFFAOYSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C15H22O2 |
| Exact Mass | 234.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7FlfmWAN3PI |
|---|---|
| Name | 5-Hydroxy-2,2-dimethyl-7-phenylheptan-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.161979946 u |
| Formula | C15H22O2 |
| InChI | InChI=1S/C15H22O2/c1-15(2,3)14(17)11-13(16)10-9-12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3 |
| InChIKey | YHHMWCHYXRGIRS-UHFFFAOYSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | C(CC(CCC1=CC=CC=C1)O)(C(C)(C)C)=O |