| SpectraBase Compound ID | GoUmbj9VyGR |
|---|---|
| InChI | InChI=1S/C28H39F5O3Si/c1-5-6-14-17-21(36-37(2,3)4)18-15-12-10-8-7-9-11-13-16-19-23(34)35-20-22-24(29)26(31)28(33)27(32)25(22)30/h6,10,12,14-15,18,21H,5,7-9,11,13,16-17,19-20H2,1-4H3/b12-10-,14-6+,18-15- |
| InChIKey | ZDNLCRACFRPETE-NGRVOWHTSA-N |
| Mol Weight | 546.7 g/mol |
| Molecular Formula | C28H39F5O3Si |
| Exact Mass | 546.258862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2KM4nyrkgfl |
|---|---|
| Name | 13-Hydroxy-(9Z,11Z,15E)-octadecatrienoic acid, pfb,tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 546.258862463 u |
| Formula | C28H39F5O3Si |
| InChI | InChI=1S/C28H39F5O3Si/c1-5-6-14-17-21(36-37(2,3)4)18-15-12-10-8-7-9-11-13-16-19-23(34)35-20-22-24(29)26(31)28(33)27(32)25(22)30/h6,10,12,14-15,18,21H,5,7-9,11,13,16-17,19-20H2,1-4H3/b12-10-,14-6+,18-15- |
| InChIKey | ZDNLCRACFRPETE-NGRVOWHTSA-N |
| Molecular Weight | 546.694 g/mol |
| SMILES | C1(=C(C(F)=C(C(=C1F)F)F)F)COC(=O)CCCCCCC\C=C/C=C\C(O[Si](C)(C)C)C\C=C\CC |