| SpectraBase Compound ID | Bb1WiwZ07DF |
|---|---|
| InChI | InChI=1S/C15H18O3/c1-11(16)18-13(10-14(17)15(2,3)4)12-8-6-5-7-9-12/h5-10H,1-4H3/b13-10+ |
| InChIKey | QQEVOXWBHMSTNZ-JLHYYAGUSA-N |
| Mol Weight | 246.31 g/mol |
| Molecular Formula | C15H18O3 |
| Exact Mass | 246.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8XFhbqgR7Ha |
|---|---|
| Name | 4,4-Dimethyl-3-oxo-1-phenylpent-1-en-1-yl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.125594437 u |
| Formula | C15H18O3 |
| InChI | InChI=1S/C15H18O3/c1-11(16)18-13(10-14(17)15(2,3)4)12-8-6-5-7-9-12/h5-10H,1-4H3/b13-10+ |
| InChIKey | QQEVOXWBHMSTNZ-JLHYYAGUSA-N |
| Molecular Weight | 246.306 g/mol |
| SMILES | C(O\C(=C\C(C(C)(C)C)=O)C1=CC=CC=C1)(=O)C |