| SpectraBase Compound ID | 412Hy3vpwr0 |
|---|---|
| InChI | InChI=1S/C16H28O3/c1-13(9-6-10-16(18)19-4)7-5-8-14(2)11-12-15(3)17/h8-9,15,17H,5-7,10-12H2,1-4H3/b13-9+,14-8+ |
| InChIKey | YUEFQUNLUPOBEE-UAUIHIKDSA-N |
| Mol Weight | 268.4 g/mol |
| Molecular Formula | C16H28O3 |
| Exact Mass | 268.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FZQUf03cnGj |
|---|---|
| Name | 4,8-Tridecadienoic acid, 12-hydroxy-5,9-dimethyl-, methyl ester, (E,E)-(.+-.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.203844759 u |
| Formula | C16H28O3 |
| InChI | InChI=1S/C16H28O3/c1-13(9-6-10-16(18)19-4)7-5-8-14(2)11-12-15(3)17/h8-9,15,17H,5-7,10-12H2,1-4H3/b13-9+,14-8+ |
| InChIKey | YUEFQUNLUPOBEE-UAUIHIKDSA-N |
| SMILES | C(=O)(OC)CC\C=C\(CC\C=C\(CCC(O)C)C)C |