| SpectraBase Compound ID | Kp9ZsrjVQtr |
|---|---|
| InChI | InChI=1S/C20H31FO2/c1-3-5-6-7-8-9-10-11-15-19(4-2)23-20(22)17-13-12-14-18(21)16-17/h12-14,16,19H,3-11,15H2,1-2H3 |
| InChIKey | XJJSLVALURZSKX-UHFFFAOYSA-N |
| Mol Weight | 322.46 g/mol |
| Molecular Formula | C20H31FO2 |
| Exact Mass | 322.230808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GWf0T3dbcSa |
|---|---|
| Name | 3-Fluorobenzoic acid, 3-tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.230808399 u |
| Formula | C20H31FO2 |
| InChI | InChI=1S/C20H31FO2/c1-3-5-6-7-8-9-10-11-15-19(4-2)23-20(22)17-13-12-14-18(21)16-17/h12-14,16,19H,3-11,15H2,1-2H3 |
| InChIKey | XJJSLVALURZSKX-UHFFFAOYSA-N |
| Molecular Weight | 322.464 g/mol |
| SMILES | CCC(OC(=O)C=1C=CC=C(F)C1)CCCCCCCCCC |