| SpectraBase Compound ID | CifioZBXy9X |
|---|---|
| InChI | InChI=1S/C21H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(22)19-20(2)3/h19H,4-18H2,1-3H3 |
| InChIKey | UMVPFPYAQWHURS-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 | DthAZ6noSPb |
|---|---|
| Name | 3-Methyl-2-butenoic acid, 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(22)19-20(2)3/h19H,4-18H2,1-3H3 |
| InChIKey | UMVPFPYAQWHURS-UHFFFAOYSA-N |
| Molecular Weight | 324.549 g/mol |
| SMILES | CCCCCCCCCCCCCCCCOC(=O)C=C(C)C |