| SpectraBase Compound ID | KdxrfTakQHh |
|---|---|
| InChI | InChI=1S/C17H20O3/c1-12(13(2)18)11-16(14(3)19)17(20)10-9-15-7-5-4-6-8-15/h4-10,16-17,20H,1,11H2,2-3H3/b10-9+ |
| InChIKey | DWGGKZDDDHRROK-MDZDMXLPSA-N |
| Mol Weight | 272.34 g/mol |
| Molecular Formula | C17H20O3 |
| Exact Mass | 272.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2nKIU80N2uE |
|---|---|
| Name | 3-((E)-1-Hydroxy-3-phenyl-allyl)-5-methylene-heptane-2,6-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.141244501 u |
| Formula | C17H20O3 |
| InChI | InChI=1S/C17H20O3/c1-12(13(2)18)11-16(14(3)19)17(20)10-9-15-7-5-4-6-8-15/h4-10,16-17,20H,1,11H2,2-3H3/b10-9+ |
| InChIKey | DWGGKZDDDHRROK-MDZDMXLPSA-N |
| SMILES | C(CC(C(=O)C)=C)(C(=O)C)C(\C=C\C1=CC=CC=C1)O |