| SpectraBase Compound ID | 5JeRy822qvk |
|---|---|
| InChI | InChI=1S/C21H32F2O2/c1-3-5-6-7-8-9-10-11-12-14-17(4-2)25-21(24)20-18(22)15-13-16-19(20)23/h13,15-17H,3-12,14H2,1-2H3 |
| InChIKey | OAMGVOZMDFMSLK-UHFFFAOYSA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C21H32F2O2 |
| Exact Mass | 354.237037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5dX8r4Bn4Rq |
|---|---|
| Name | 2,6-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/c1-3-5-6-7-8-9-10-11-12-14-17(4-2)25-21(24)20-18(22)15-13-16-19(20)23/h13,15-17H,3-12,14H2,1-2H3 |
| InChIKey | OAMGVOZMDFMSLK-UHFFFAOYSA-N |
| Molecular Weight | 354.482 g/mol |
| SMILES | C1=CC(=C(C(=C1)F)C(OC(CC)CCCCCCCCCCC)=O)F |