| SpectraBase Compound ID | B3UP43bFL4W |
|---|---|
| InChI | InChI=1S/C21H32F2O2/c1-3-5-6-7-8-9-10-11-12-13-18(4-2)25-21(24)19-15-14-17(22)16-20(19)23/h14-16,18H,3-13H2,1-2H3 |
| InChIKey | RNUDQGRHTSIVHK-UHFFFAOYSA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C21H32F2O2 |
| Exact Mass | 354.237037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3RZWOXaEo1j |
|---|---|
| Name | 2,4-Difluorobenzoic acid, 3-tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.237036594 u |
| Formula | C21H32F2O2 |
| InChI | InChI=1S/C21H32F2O2/c1-3-5-6-7-8-9-10-11-12-13-18(4-2)25-21(24)19-15-14-17(22)16-20(19)23/h14-16,18H,3-13H2,1-2H3 |
| InChIKey | RNUDQGRHTSIVHK-UHFFFAOYSA-N |
| Molecular Weight | 354.482 g/mol |
| SMILES | C1=CC(=CC(=C1C(OC(CC)CCCCCCCCCCC)=O)F)F |