| SpectraBase Compound ID | 5jJzErr3Li7 |
|---|---|
| InChI | InChI=1S/C14H18O2/c1-11(2)14(16)10-13(15)9-8-12-6-4-3-5-7-12/h3-9,11,14,16H,10H2,1-2H3/b9-8+ |
| InChIKey | WYJOPRRQHPVKIM-CMDGGOBGSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C14H18O2 |
| Exact Mass | 218.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6R7GfzsQ14f |
|---|---|
| Name | 5-Hydroxy-1-phenyl-6-methyl-hept-1-en-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.130679818 u |
| Formula | C14H18O2 |
| InChI | InChI=1S/C14H18O2/c1-11(2)14(16)10-13(15)9-8-12-6-4-3-5-7-12/h3-9,11,14,16H,10H2,1-2H3/b9-8+ |
| InChIKey | WYJOPRRQHPVKIM-CMDGGOBGSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C(\C=C\C=1C=CC=CC1)(CC(C(C)C)O)=O |