| SpectraBase Compound ID | KblZDxacmXE |
|---|---|
| InChI | InChI=1S/C22H36O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h5,7,9-10,12-13,15-16H,3-4,6,8,11,14,17-21H2,1-2H3/b7-5-,10-9-,13-12-,16-15- |
| InChIKey | XVSLAFUHADZTLL-KUXGPOOQSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C22H36O2 |
| Exact Mass | 332.27153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CV5vRPArK3E |
|---|---|
| Name | Butyl 6,9,12,15-octadecatetraenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.271530397 u |
| Formula | C22H36O2 |
| InChI | InChI=1S/C22H36O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h5,7,9-10,12-13,15-16H,3-4,6,8,11,14,17-21H2,1-2H3/b7-5-,10-9-,13-12-,16-15- |
| InChIKey | XVSLAFUHADZTLL-KUXGPOOQSA-N |
| Molecular Weight | 332.528 g/mol |
| SMILES | C(C(OCCCC)=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CC |