| SpectraBase Compound ID | 6JHZKx0L7bH |
|---|---|
| InChI | InChI=1S/C15H18O3/c1-3-12-5-7-13(8-6-12)9-10-14(16)11-15(17)18-4-2/h3,5-8H,1,4,9-11H2,2H3 |
| InChIKey | MZQWJTOOIQJUTE-UHFFFAOYSA-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 | 6HtmvLcbcm7 |
|---|---|
| Name | Benzenepentanoic acid, 4-ethenyl-.beta.-oxo-, ethyl ester |
| 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/c1-3-12-5-7-13(8-6-12)9-10-14(16)11-15(17)18-4-2/h3,5-8H,1,4,9-11H2,2H3 |
| InChIKey | MZQWJTOOIQJUTE-UHFFFAOYSA-N |
| Molecular Weight | 246.306 g/mol |
| SMILES | CCOC(=O)CC(=O)CCC1=CC=C(C=C1)C=C |