| SpectraBase Compound ID | LupOF3dmXnX |
|---|---|
| InChI | InChI=1S/C11H18O2/c1-6-9(4)7-11(8(2)3)13-10(5)12/h6,11H,2,7H2,1,3-5H3/b9-6+ |
| InChIKey | IVDNKPKCVOXPIO-RMKNXTFCSA-N |
| Mol Weight | 182.26 g/mol |
| Molecular Formula | C11H18O2 |
| Exact Mass | 182.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ZYj126rhZ5 |
|---|---|
| Name | (E)-2,5-Dimethyl-1,5-heptadien-3-ol acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.130679818 u |
| Formula | C11H18O2 |
| InChI | InChI=1S/C11H18O2/c1-6-9(4)7-11(8(2)3)13-10(5)12/h6,11H,2,7H2,1,3-5H3/b9-6+ |
| InChIKey | IVDNKPKCVOXPIO-RMKNXTFCSA-N |
| Molecular Weight | 182.263 g/mol |
| SMILES | C(OC(=O)C)(C(=C)C)C\C(=C\C)C |