| SpectraBase Compound ID | 6atw5W2eCym |
|---|---|
| InChI | InChI=1S/C17H26O/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h9,11,13,15H,3-8,10,12H2,1-2H3/b11-9+,15-13+ |
| InChIKey | YZRMSNLOTCZUDO-PXELCPQFSA-N |
| Mol Weight | 246.39 g/mol |
| Molecular Formula | C17H26O |
| Exact Mass | 246.198365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6nSKs39r5WF |
|---|---|
| Name | (E,E)-Heptadeca-5,7-dien-10-yn-9-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.198365456 u |
| Formula | C17H26O |
| InChI | InChI=1S/C17H26O/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h9,11,13,15H,3-8,10,12H2,1-2H3/b11-9+,15-13+ |
| InChIKey | YZRMSNLOTCZUDO-PXELCPQFSA-N |
| Molecular Weight | 246.394 g/mol |
| SMILES | CCCC\C=C\C=C\C(C#CCCCCCC)=O |