| SpectraBase Compound ID | 16JELzjGD7u |
|---|---|
| InChI | InChI=1S/C20H40O2/c1-4-18-22-20(21)17-15-13-11-9-7-6-8-10-12-14-16-19(3)5-2/h19H,4-18H2,1-3H3 |
| InChIKey | KKZCGEUIWAEKBT-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 | JaZ9ITmpxtd |
|---|---|
| Name | N-Propyl 14-methyl-hexadecanoate |
| 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/c1-4-18-22-20(21)17-15-13-11-9-7-6-8-10-12-14-16-19(3)5-2/h19H,4-18H2,1-3H3 |
| InChIKey | KKZCGEUIWAEKBT-UHFFFAOYSA-N |
| Molecular Weight | 312.538 g/mol |
| SMILES | C(CCCCCCCCCCCC(CC)C)C(OCCC)=O |