| SpectraBase Compound ID | IDs1ktnDBEd |
|---|---|
| InChI | InChI=1S/C15H20O/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h7-10,13-14H,3-6H2,1-2H3/b8-7+,10-9+,14-13+ |
| InChIKey | PSAWBQXNHNDQIF-GAVHPNJOSA-N |
| Mol Weight | 216.32 g/mol |
| Molecular Formula | C15H20O |
| Exact Mass | 216.151415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | n1XzKFydHT |
|---|---|
| Name | Pentadeca-4-trans,8-trans,10-trans-trien-6-yn-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.151415263 u |
| Formula | C15H20O |
| InChI | InChI=1S/C15H20O/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h7-10,13-14H,3-6H2,1-2H3/b8-7+,10-9+,14-13+ |
| InChIKey | PSAWBQXNHNDQIF-GAVHPNJOSA-N |
| Molecular Weight | 216.324 g/mol |
| SMILES | CCC(\C=C\C#C\C=C\C=C\CCCC)=O |