| SpectraBase Compound ID | 5NAqS5CWJwN |
|---|---|
| InChI | InChI=1S/C20H40O2/c1-4-5-16-19(2)17-14-12-10-8-6-7-9-11-13-15-18-20(21)22-3/h19H,4-18H2,1-3H3 |
| InChIKey | DFYYJXKPWJCVLX-UHFFFAOYSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C20H40O2 |
| Exact Mass | 312.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KfIHigNiEGo |
|---|---|
| Name | Octadecanoic acid, 14-methyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.302830526 u |
| Formula | C20H40O2 |
| InChI | InChI=1S/C20H40O2/c1-4-5-16-19(2)17-14-12-10-8-6-7-9-11-13-15-18-20(21)22-3/h19H,4-18H2,1-3H3 |
| InChIKey | DFYYJXKPWJCVLX-UHFFFAOYSA-N |
| Molecular Weight | 312.538 g/mol |
| SMILES | C(CCC(CCCC)C)CCCCCCCCCC(OC)=O |