| SpectraBase Compound ID | BZizW22eDUY |
|---|---|
| InChI | InChI=1S/C20H20O3/c1-20(2,3)18(21)14-17(15-10-6-4-7-11-15)23-19(22)16-12-8-5-9-13-16/h4-14H,1-3H3/b17-14+ |
| InChIKey | OSQIIIBBTSIWGF-SAPNQHFASA-N |
| Mol Weight | 308.38 g/mol |
| Molecular Formula | C20H20O3 |
| Exact Mass | 308.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4p78NhDG7l6 |
|---|---|
| Name | 4,4-Dimethyl-1-phenyl-3-oxopent-1-en-1-yl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.141244501 u |
| Formula | C20H20O3 |
| InChI | InChI=1S/C20H20O3/c1-20(2,3)18(21)14-17(15-10-6-4-7-11-15)23-19(22)16-12-8-5-9-13-16/h4-14H,1-3H3/b17-14+ |
| InChIKey | OSQIIIBBTSIWGF-SAPNQHFASA-N |
| Molecular Weight | 308.377 g/mol |
| SMILES | C(O\C(=C\C(C(C)(C)C)=O)C=1C=CC=CC1)(=O)C1=CC=CC=C1 |