| SpectraBase Compound ID | 23XgBMQgB2P |
|---|---|
| InChI | InChI=1S/C16H22O/c1-3-4-5-9-12-16(17)14(2)13-15-10-7-6-8-11-15/h6-8,10-11,13H,3-5,9,12H2,1-2H3/b14-13+ |
| InChIKey | RQAJOFQXWBDOBO-BUHFOSPRSA-N |
| Mol Weight | 230.35 g/mol |
| Molecular Formula | C16H22O |
| Exact Mass | 230.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bpc73dL8sSq |
|---|---|
| Name | 2-Methyl-1-phenylnon-1-en-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.167065327 u |
| Formula | C16H22O |
| InChI | InChI=1S/C16H22O/c1-3-4-5-9-12-16(17)14(2)13-15-10-7-6-8-11-15/h6-8,10-11,13H,3-5,9,12H2,1-2H3/b14-13+ |
| InChIKey | RQAJOFQXWBDOBO-BUHFOSPRSA-N |
| Molecular Weight | 230.351 g/mol |
| SMILES | C(\C(=C\C=1C=CC=CC1)C)(CCCCCC)=O |