| SpectraBase Compound ID | 6FPcbavqePn |
|---|---|
| InChI | InChI=1S/C18H26O2/c1-4-6-8-9-10-12-14-18(19)20-16-15-17(3)13-11-7-5-2/h10,12,17H,8-9,11,13-16H2,1-3H3/b12-10+ |
| InChIKey | FHPHUTHQZQQGQQ-ZRDIBKRKSA-N |
| Mol Weight | 274.4 g/mol |
| Molecular Formula | C18H26O2 |
| Exact Mass | 274.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Eoh24XhX8Vv |
|---|---|
| Name | (3E)-3'-Methyloct-6'-ynyl non-3-en-7-ynoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.193280075 u |
| Formula | C18H26O2 |
| InChI | InChI=1S/C18H26O2/c1-4-6-8-9-10-12-14-18(19)20-16-15-17(3)13-11-7-5-2/h10,12,17H,8-9,11,13-16H2,1-3H3/b12-10+ |
| InChIKey | FHPHUTHQZQQGQQ-ZRDIBKRKSA-N |
| Molecular Weight | 274.404 g/mol |
| SMILES | C(#CCC\C=C\CC(=O)OCCC(CCC#CC)C)C |