| SpectraBase Compound ID | Lbx645fHPNK |
|---|---|
| InChI | InChI=1S/C17H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h4-5,7-8,10-11,13-14H,3,6,9,12,15-16H2,1-2H3/b5-4-,8-7-,11-10-,14-13- |
| InChIKey | GRTBKGOZZPTTEE-GJDCDIHCSA-N |
| Mol Weight | 262.39 g/mol |
| Molecular Formula | C17H26O2 |
| Exact Mass | 262.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HPgwzhkJYBY |
|---|---|
| Name | Methyl 4,7,10,13-hexadecatetraenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.193280075 u |
| Formula | C17H26O2 |
| InChI | InChI=1S/C17H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h4-5,7-8,10-11,13-14H,3,6,9,12,15-16H2,1-2H3/b5-4-,8-7-,11-10-,14-13- |
| InChIKey | GRTBKGOZZPTTEE-GJDCDIHCSA-N |
| Molecular Weight | 262.393 g/mol |
| SMILES | C(\C=C/C\C=C/C\C=C/C\C=C/CC)CC(OC)=O |