| SpectraBase Compound ID | 2gWzWlcbD2f |
|---|---|
| InChI | InChI=1S/C17H20O3/c1-4-12-16(19)13-10-8-6-7-9-11-14-17(5-2)20-15(3)18/h5-6,8,10-11,13-14,17H,2,4,12H2,1,3H3/b8-6+,13-10+,14-11+ |
| InChIKey | KRZKWTXOLFYPBW-MKPHSFAVSA-N |
| Mol Weight | 272.34 g/mol |
| Molecular Formula | C17H20O3 |
| Exact Mass | 272.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D18MX6Oro4Z |
|---|---|
| Name | 3-Acetoxypentadeca-1,4-trans,8-trans,10-trans-tetraen-6-yn-12-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.141244501 u |
| Formula | C17H20O3 |
| InChI | InChI=1S/C17H20O3/c1-4-12-16(19)13-10-8-6-7-9-11-14-17(5-2)20-15(3)18/h5-6,8,10-11,13-14,17H,2,4,12H2,1,3H3/b8-6+,13-10+,14-11+ |
| InChIKey | KRZKWTXOLFYPBW-MKPHSFAVSA-N |
| SMILES | C=CC(OC(=O)C)\C=C\C#C\C=C\C=C\C(CCC)=O |