| SpectraBase Compound ID | C7rrJCdTrKL |
|---|---|
| InChI | InChI=1S/C21H36O3/c1-3-5-6-7-8-9-10-11-12-13-16-19(15-4-2)24-21(22)20-17-14-18-23-20/h14,17-19H,3-13,15-16H2,1-2H3 |
| InChIKey | JHCJTFPTGDJUFX-UHFFFAOYSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C21H36O3 |
| Exact Mass | 336.266445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ezcvUfgG4s |
|---|---|
| Name | 2-Furancarboxylic acid, 4-hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.266445016 u |
| Formula | C21H36O3 |
| InChI | InChI=1S/C21H36O3/c1-3-5-6-7-8-9-10-11-12-13-16-19(15-4-2)24-21(22)20-17-14-18-23-20/h14,17-19H,3-13,15-16H2,1-2H3 |
| InChIKey | JHCJTFPTGDJUFX-UHFFFAOYSA-N |
| Molecular Weight | 336.516 g/mol |
| SMILES | C(CCCCCCCC)CCCC(CCC)OC(=O)C=1OC=CC1 |