| SpectraBase Compound ID | 4ZDhV9VA4K9 |
|---|---|
| InChI | InChI=1S/C12H20O3/c1-9(2)12(14)6-5-10(3)7-8-15-11(4)13/h7,12,14H,1,5-6,8H2,2-4H3/b10-7+ |
| InChIKey | AJCBRFGINYAOCJ-JXMROGBWSA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C12H20O3 |
| Exact Mass | 212.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GgQtuxQfb5G |
|---|---|
| Name | 6-Hydroxy-3,7-dimethyl-2,7-octadienyl acetate(E) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.141244501 u |
| Formula | C12H20O3 |
| InChI | InChI=1S/C12H20O3/c1-9(2)12(14)6-5-10(3)7-8-15-11(4)13/h7,12,14H,1,5-6,8H2,2-4H3/b10-7+ |
| InChIKey | AJCBRFGINYAOCJ-JXMROGBWSA-N |
| Molecular Weight | 212.289 g/mol |
| SMILES | C(C)(=O)OC\C=C\(CCC(C(=C)C)O)C |