| SpectraBase Compound ID | EftUmQFoKRN |
|---|---|
| InChI | InChI=1S/C17H28O3/c1-14(8-6-10-16(3)13-18)7-5-9-15(2)11-12-20-17(4)19/h7,10-11,18H,5-6,8-9,12-13H2,1-4H3/b14-7+,15-11+,16-10+ |
| InChIKey | PMMLYUKFEGLCHF-JDDBBKIWSA-N |
| Mol Weight | 280.41 g/mol |
| Molecular Formula | C17H28O3 |
| Exact Mass | 280.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4UEyew6uBZA |
|---|---|
| Name | 2,6,10-Dodecatrien-1-ol, 12-acetoxy-2,6,10-trimethyl-, (E,E,E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.203844759 u |
| Formula | C17H28O3 |
| InChI | InChI=1S/C17H28O3/c1-14(8-6-10-16(3)13-18)7-5-9-15(2)11-12-20-17(4)19/h7,10-11,18H,5-6,8-9,12-13H2,1-4H3/b14-7+,15-11+,16-10+ |
| InChIKey | PMMLYUKFEGLCHF-JDDBBKIWSA-N |
| SMILES | C(\C(=C\CC\C(=C\CC\C(=C\COC(C)=O)C)C)C)O |