| SpectraBase Compound ID | 1e9F829C7UN |
|---|---|
| InChI | InChI=1S/C16H28O2/c1-5-7-8-9-10-14(3)13-15(4)11-12-16(17)18-6-2/h11-14H,5-10H2,1-4H3/b12-11+,15-13+/t14-/m1/s1 |
| InChIKey | ZGPXOARNEFMCIO-CGRMVXLCSA-N |
| Mol Weight | 252.4 g/mol |
| Molecular Formula | C16H28O2 |
| Exact Mass | 252.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FjTkozA0wrS |
|---|---|
| Name | Ethyl (2E,4E,6R)-4,6-dimethyl-2,4-dodecadienate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.208930140 u |
| Formula | C16H28O2 |
| InChI | InChI=1S/C16H28O2/c1-5-7-8-9-10-14(3)13-15(4)11-12-16(17)18-6-2/h11-14H,5-10H2,1-4H3/b12-11+,15-13+/t14-/m1/s1 |
| InChIKey | ZGPXOARNEFMCIO-CGRMVXLCSA-N |
| Molecular Weight | 252.398 g/mol |
| SMILES | C(\C=C\C(=C\[C@@](CCCCCC)(C)[H])C)(=O)OCC |