| SpectraBase Compound ID | DwsZSpnRTDF |
|---|---|
| InChI | InChI=1S/C22H38O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h5,7,9-10,12-13H,3-4,6,8,11,14-21H2,1-2H3/b7-5-,10-9-,13-12- |
| InChIKey | QQNROWCMALTXCD-XQOKXTRKSA-N |
| Mol Weight | 334.5 g/mol |
| Molecular Formula | C22H38O2 |
| Exact Mass | 334.28718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EUFhiaY6FyH |
|---|---|
| Name | Butyl 9,12,15-octadecatrienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.287180462 u |
| Formula | C22H38O2 |
| InChI | InChI=1S/C22H38O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h5,7,9-10,12-13H,3-4,6,8,11,14-21H2,1-2H3/b7-5-,10-9-,13-12- |
| InChIKey | QQNROWCMALTXCD-XQOKXTRKSA-N |
| Molecular Weight | 334.544 g/mol |
| SMILES | C(C(OCCCC)=O)CCCCCC\C=C/C\C=C/C\C=C/CC |