| SpectraBase Compound ID | DrI2yLY2lJe |
|---|---|
| InChI | InChI=1S/C22H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-22(23)20-21(2)3/h20H,4-19H2,1-3H3 |
| InChIKey | MLHNCTAKQINLDG-UHFFFAOYSA-N |
| Mol Weight | 338.6 g/mol |
| Molecular Formula | C22H42O2 |
| Exact Mass | 338.318481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J9KBrUmKwSJ |
|---|---|
| Name | 3-Methyl-2-butenoic acid, heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.318480590 u |
| Formula | C22H42O2 |
| InChI | InChI=1S/C22H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-22(23)20-21(2)3/h20H,4-19H2,1-3H3 |
| InChIKey | MLHNCTAKQINLDG-UHFFFAOYSA-N |
| Molecular Weight | 338.576 g/mol |
| SMILES | C(CCCCCCCCCCCC)CCCCOC(=O)C=C(C)C |