| SpectraBase Compound ID | 68iEU8wJgyd |
|---|---|
| InChI | InChI=1S/C18H34O2/c1-5-6-7-8-9-13-18(19)20-15-14-17(4)12-10-11-16(2)3/h11,17H,5-10,12-15H2,1-4H3 |
| InChIKey | RDBWSCQYUJLRGB-UHFFFAOYSA-N |
| Mol Weight | 282.5 g/mol |
| Molecular Formula | C18H34O2 |
| Exact Mass | 282.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bm71T3xsfuC |
|---|---|
| Name | 3,7-Dimethyloct-6-en-1-yl octanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.255880333 u |
| Formula | C18H34O2 |
| InChI | InChI=1S/C18H34O2/c1-5-6-7-8-9-13-18(19)20-15-14-17(4)12-10-11-16(2)3/h11,17H,5-10,12-15H2,1-4H3 |
| InChIKey | RDBWSCQYUJLRGB-UHFFFAOYSA-N |
| Molecular Weight | 282.468 g/mol |
| SMILES | C(CCCCCCC)(=O)OCCC(CCC=C(C)C)C |