| SpectraBase Compound ID | B6roRVHRINH |
|---|---|
| InChI | InChI=1S/C21H40O2/c1-5-7-8-9-10-11-12-13-14-15-17-20(16-6-2)23-21(22)18-19(3)4/h18,20H,5-17H2,1-4H3 |
| InChIKey | KMAJMLGOJBTPTH-UHFFFAOYSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C21H40O2 |
| Exact Mass | 324.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E1bFUm754Zd |
|---|---|
| Name | 3-Methyl-2-butenoic acid, 4-hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.302830526 u |
| Formula | C21H40O2 |
| InChI | InChI=1S/C21H40O2/c1-5-7-8-9-10-11-12-13-14-15-17-20(16-6-2)23-21(22)18-19(3)4/h18,20H,5-17H2,1-4H3 |
| InChIKey | KMAJMLGOJBTPTH-UHFFFAOYSA-N |
| Molecular Weight | 324.549 g/mol |
| SMILES | C(CCCCCCCC)CCCC(CCC)OC(=O)C=C(C)C |