| SpectraBase Compound ID | 7BR2TBIxrFf |
|---|---|
| InChI | InChI=1S/C28H50O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(29)30-31(5,6)28(2,3)4/h11-12,14-15,17-18,20-21H,7-10,13,16,19,22-26H2,1-6H3/b12-11-,15-14-,18-17-,21-20- |
| InChIKey | NWXIAZMKBWSKLJ-FORXSXPXSA-N |
| Mol Weight | 446.8 g/mol |
| Molecular Formula | C28H50O2Si |
| Exact Mass | 446.358007 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9oyQxRoxjE9 |
|---|---|
| Name | cis-7,10,13,16-Docosatetraenoic acid, tert-butyldimethylsilyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 446.358007383 u |
| Formula | C28H50O2Si |
| InChI | InChI=1S/C28H50O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(29)30-31(5,6)28(2,3)4/h11-12,14-15,17-18,20-21H,7-10,13,16,19,22-26H2,1-6H3/b12-11-,15-14-,18-17-,21-20- |
| InChIKey | NWXIAZMKBWSKLJ-FORXSXPXSA-N |
| Molecular Weight | 446.791 g/mol |
| SMILES | C(\C=C/C\C=C/C\C=C/CCCCC)\C=C/CCCCCC(=O)O[Si](C(C)(C)C)(C)C |