| SpectraBase Compound ID | LrVoAc3ErSF |
|---|---|
| InChI | InChI=1S/C15H16O/c1-2-3-4-8-11-15(16)13-12-14-9-6-5-7-10-14/h5-7,9-10,12-13H,2-4H2,1H3/b13-12+ |
| InChIKey | XBIILKYUEYLGLB-OUKQBFOZSA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C15H16O |
| Exact Mass | 212.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LFHgLRDr11O |
|---|---|
| Name | (1E)-1-Phenyl-1-nonen-4-yn-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.120115134 u |
| Formula | C15H16O |
| InChI | InChI=1S/C15H16O/c1-2-3-4-8-11-15(16)13-12-14-9-6-5-7-10-14/h5-7,9-10,12-13H,2-4H2,1H3/b13-12+ |
| InChIKey | XBIILKYUEYLGLB-OUKQBFOZSA-N |
| Molecular Weight | 212.292 g/mol |
| SMILES | C(#CCCCC)C(\C=C\C=1C=CC=CC1)=O |