| SpectraBase Compound ID | KJhmUvBpdZ7 |
|---|---|
| InChI | InChI=1S/C20H40O2/c1-18(2)16-14-12-10-8-6-5-7-9-11-13-15-17-20(21)22-19(3)4/h18-19H,5-17H2,1-4H3 |
| InChIKey | XLAHONMXRAUXAX-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 | 2IbDll0vBWL |
|---|---|
| Name | I-Propyl 15-methylhexadecanoate |
| 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/c1-18(2)16-14-12-10-8-6-5-7-9-11-13-15-17-20(21)22-19(3)4/h18-19H,5-17H2,1-4H3 |
| InChIKey | XLAHONMXRAUXAX-UHFFFAOYSA-N |
| Molecular Weight | 312.538 g/mol |
| SMILES | C(OC(=O)CCCCCCCCCCCCCC(C)C)(C)C |