| SpectraBase Compound ID | 45ZFj7268MI |
|---|---|
| InChI | InChI=1S/C21H34O3/c1-3-4-5-6-8-11-14-17-20(22)18-15-12-9-7-10-13-16-19-21(23)24-2/h7-8,10-12,14-15,17,20,22H,3-6,9,13,16,18-19H2,1-2H3/b10-7-,11-8-,15-12-,17-14+ |
| InChIKey | UXMIJODNYUZSNX-VUAQDJEMSA-N |
| Mol Weight | 334.5 g/mol |
| Molecular Formula | C21H34O3 |
| Exact Mass | 334.250795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IXgqh7xg9f8 |
|---|---|
| Name | Methyl 11-hydroxyeicosan-5(Z),8(Z),12(E),14(Z)-tetraenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.250794952 u |
| Formula | C21H34O3 |
| InChI | InChI=1S/C21H34O3/c1-3-4-5-6-8-11-14-17-20(22)18-15-12-9-7-10-13-16-19-21(23)24-2/h7-8,10-12,14-15,17,20,22H,3-6,9,13,16,18-19H2,1-2H3/b10-7-,11-8-,15-12-,17-14+ |
| InChIKey | UXMIJODNYUZSNX-VUAQDJEMSA-N |
| Molecular Weight | 334.500 g/mol |
| SMILES | C(=O)(OC)CCC\C=C/C\C=C/CC(\C=C\C=C/CCCCC)O |