| SpectraBase Compound ID | 4TOkV7BSFM6 |
|---|---|
| InChI | InChI=1S/C16H30O2/c1-6-7-8-11-16(4,5)12-9-10-14(2)13-18-15(3)17/h6-7,14H,8-13H2,1-5H3/b7-6+ |
| InChIKey | BSDYLUUZKMNXMG-VOTSOKGWSA-N |
| Mol Weight | 254.41 g/mol |
| Molecular Formula | C16H30O2 |
| Exact Mass | 254.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GduD4WcT4Uy |
|---|---|
| Name | 2,6,6-Trimethyl-9-undecen-1-ol acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.224580204 u |
| Formula | C16H30O2 |
| InChI | InChI=1S/C16H30O2/c1-6-7-8-11-16(4,5)12-9-10-14(2)13-18-15(3)17/h6-7,14H,8-13H2,1-5H3/b7-6+ |
| InChIKey | BSDYLUUZKMNXMG-VOTSOKGWSA-N |
| Molecular Weight | 254.414 g/mol |
| SMILES | C\C=C\CCC(CCCC(COC(C)=O)C)(C)C |