| SpectraBase Compound ID | H2wtIsUjpRf |
|---|---|
| InChI | InChI=1S/C18H26F2O2/c1-2-3-4-5-6-7-8-9-10-13-22-18(21)16-12-11-15(19)14-17(16)20/h11-12,14H,2-10,13H2,1H3 |
| InChIKey | HEMPVXWEZQMSET-UHFFFAOYSA-N |
| Mol Weight | 312.4 g/mol |
| Molecular Formula | C18H26F2O2 |
| Exact Mass | 312.190086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FHdMMtRcAk |
|---|---|
| Name | 2,4-Difluorobenzoic acid, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.190086401 u |
| Formula | C18H26F2O2 |
| InChI | InChI=1S/C18H26F2O2/c1-2-3-4-5-6-7-8-9-10-13-22-18(21)16-12-11-15(19)14-17(16)20/h11-12,14H,2-10,13H2,1H3 |
| InChIKey | HEMPVXWEZQMSET-UHFFFAOYSA-N |
| Molecular Weight | 312.401 g/mol |
| SMILES | C(CCCCCCCCCOC(C1=C(C=C(C=C1)F)F)=O)C |