| SpectraBase Compound ID | 5hkHf4prHck |
|---|---|
| InChI | InChI=1S/C21H42O2/c1-4-7-9-11-12-13-15-16-18-20(6-3)23-21(22)19-17-14-10-8-5-2/h20H,4-19H2,1-3H3 |
| InChIKey | SNAPQCBFLCJCFP-UHFFFAOYSA-N |
| Mol Weight | 326.6 g/mol |
| Molecular Formula | C21H42O2 |
| Exact Mass | 326.318481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GNBgIN0yG0R |
|---|---|
| Name | Octanoic acid, 3-tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.318480590 u |
| Formula | C21H42O2 |
| InChI | InChI=1S/C21H42O2/c1-4-7-9-11-12-13-15-16-18-20(6-3)23-21(22)19-17-14-10-8-5-2/h20H,4-19H2,1-3H3 |
| InChIKey | SNAPQCBFLCJCFP-UHFFFAOYSA-N |
| Molecular Weight | 326.565 g/mol |
| SMILES | CCCCCCCCCCC(CC)OC(=O)CCCCCCC |