| SpectraBase Compound ID | 4zEIlyKqBRL |
|---|---|
| InChI | InChI=1S/C20H30F2O2/c1-3-5-7-8-9-10-12-17(11-6-4-2)24-20(23)16-13-14-18(21)19(22)15-16/h13-15,17H,3-12H2,1-2H3 |
| InChIKey | JXVMRDAFZWWGJS-UHFFFAOYSA-N |
| Mol Weight | 340.45 g/mol |
| Molecular Formula | C20H30F2O2 |
| Exact Mass | 340.221387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FMPdpwC8hfz |
|---|---|
| Name | 3,4-Difluorobenzoic acid, 5-tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.221386530 u |
| Formula | C20H30F2O2 |
| InChI | InChI=1S/C20H30F2O2/c1-3-5-7-8-9-10-12-17(11-6-4-2)24-20(23)16-13-14-18(21)19(22)15-16/h13-15,17H,3-12H2,1-2H3 |
| InChIKey | JXVMRDAFZWWGJS-UHFFFAOYSA-N |
| Molecular Weight | 340.455 g/mol |
| SMILES | C1(=CC(=CC=C1F)C(OC(CCCC)CCCCCCCC)=O)F |