| SpectraBase Compound ID | 260YahjmdSY |
|---|---|
| InChI | InChI=1S/C15H18O2/c1-13(16)9-5-2-3-8-12-15(17)14-10-6-4-7-11-14/h4,6-8,10-12H,2-3,5,9H2,1H3/b12-8+ |
| InChIKey | MULWICBINQCZMA-XYOKQWHBSA-N |
| Mol Weight | 230.31 g/mol |
| Molecular Formula | C15H18O2 |
| Exact Mass | 230.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | APYCtGX6KcG |
|---|---|
| Name | 1-Phenyl-non-2-ene-1,8-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.130679818 u |
| Formula | C15H18O2 |
| InChI | InChI=1S/C15H18O2/c1-13(16)9-5-2-3-8-12-15(17)14-10-6-4-7-11-14/h4,6-8,10-12H,2-3,5,9H2,1H3/b12-8+ |
| InChIKey | MULWICBINQCZMA-XYOKQWHBSA-N |
| Molecular Weight | 230.307 g/mol |
| SMILES | C1(=CC=CC=C1)C(\C=C\CCCCC(C)=O)=O |