| SpectraBase Compound ID | 5qrymV4gsmj |
|---|---|
| InChI | InChI=1S/C12H18O4/c1-4-12(16-11(3)14)8-6-5-7-9-15-10(2)13/h4-5,7,12H,1,6,8-9H2,2-3H3/b7-5+ |
| InChIKey | NIVJKIABYIUTOF-FNORWQNLSA-N |
| Mol Weight | 226.27 g/mol |
| Molecular Formula | C12H18O4 |
| Exact Mass | 226.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6BIedeDsEkT |
|---|---|
| Name | 2,7-Octadiene-1,6-diol, diacetate, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.120509056 u |
| Formula | C12H18O4 |
| InChI | InChI=1S/C12H18O4/c1-4-12(16-11(3)14)8-6-5-7-9-15-10(2)13/h4-5,7,12H,1,6,8-9H2,2-3H3/b7-5+ |
| InChIKey | NIVJKIABYIUTOF-FNORWQNLSA-N |
| Molecular Weight | 226.272 g/mol |
| SMILES | C(=O)(OC(C=C)CC\C=C\COC(=O)C)C |