| SpectraBase Compound ID | 4CYPbgurxNP |
|---|---|
| InChI | InChI=1S/C25H40F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-25(28)23-19-18-22(26)21-24(23)27/h18-19,21H,2-17,20H2,1H3 |
| InChIKey | FHXNVCZELHRVII-UHFFFAOYSA-N |
| Mol Weight | 410.6 g/mol |
| Molecular Formula | C25H40F2O2 |
| Exact Mass | 410.299637 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4VStWpU0zSA |
|---|---|
| Name | 2,4-Difluorobenzoic acid, octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.299636852 u |
| Formula | C25H40F2O2 |
| InChI | InChI=1S/C25H40F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-25(28)23-19-18-22(26)21-24(23)27/h18-19,21H,2-17,20H2,1H3 |
| InChIKey | FHXNVCZELHRVII-UHFFFAOYSA-N |
| Molecular Weight | 410.590 g/mol |
| SMILES | C(CCCCCCCCCOC(C1=C(C=C(C=C1)F)F)=O)CCCCCCCC |