| SpectraBase Compound ID | LUJ1r0jd08D |
|---|---|
| InChI | InChI=1S/C20H38O2/c1-3-5-6-7-8-9-13-17-19(14-4-2)22-20(21)18-15-11-10-12-16-18/h18-19H,3-17H2,1-2H3 |
| InChIKey | MBMOZZFBNIGTEL-UHFFFAOYSA-N |
| Mol Weight | 310.5 g/mol |
| Molecular Formula | C20H38O2 |
| Exact Mass | 310.28718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8M9NShzEb9C |
|---|---|
| Name | Cyclohexanecarboxylic acid, 4-tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.287180462 u |
| Formula | C20H38O2 |
| InChI | InChI=1S/C20H38O2/c1-3-5-6-7-8-9-13-17-19(14-4-2)22-20(21)18-15-11-10-12-16-18/h18-19H,3-17H2,1-2H3 |
| InChIKey | MBMOZZFBNIGTEL-UHFFFAOYSA-N |
| Molecular Weight | 310.522 g/mol |
| SMILES | CCCC(OC(=O)C1CCCCC1)CCCCCCCCC |