| SpectraBase Compound ID | iMCqkGhmRO |
|---|---|
| InChI | InChI=1S/C14H16O2/c1-11(15)14(12(2)16)10-6-9-13-7-4-3-5-8-13/h3-9,14H,10H2,1-2H3/b9-6+ |
| InChIKey | PGEPOVPAPVUGAJ-RMKNXTFCSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C14H16O2 |
| Exact Mass | 216.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 13SRs3Tmajw |
|---|---|
| Name | 3-Cinnamylpentane-2,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.115029753 u |
| Formula | C14H16O2 |
| InChI | InChI=1S/C14H16O2/c1-11(15)14(12(2)16)10-6-9-13-7-4-3-5-8-13/h3-9,14H,10H2,1-2H3/b9-6+ |
| InChIKey | PGEPOVPAPVUGAJ-RMKNXTFCSA-N |
| Molecular Weight | 216.280 g/mol |
| SMILES | CC(C(C(C)=O)C\C=C\C=1C=CC=CC1)=O |