| SpectraBase Compound ID | GrUTnS38sAT |
|---|---|
| InChI | InChI=1S/C22H34F2O2/c1-3-5-6-7-8-9-10-11-12-14-19(13-4-2)26-22(25)18-15-16-20(23)21(24)17-18/h15-17,19H,3-14H2,1-2H3 |
| InChIKey | HATFAOILKMKNJL-UHFFFAOYSA-N |
| Mol Weight | 368.5 g/mol |
| Molecular Formula | C22H34F2O2 |
| Exact Mass | 368.252687 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7CKtwfiueDd |
|---|---|
| Name | 3,4-Difluorobenzoic acid, 4-pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.252686659 u |
| Formula | C22H34F2O2 |
| InChI | InChI=1S/C22H34F2O2/c1-3-5-6-7-8-9-10-11-12-14-19(13-4-2)26-22(25)18-15-16-20(23)21(24)17-18/h15-17,19H,3-14H2,1-2H3 |
| InChIKey | HATFAOILKMKNJL-UHFFFAOYSA-N |
| Molecular Weight | 368.509 g/mol |
| SMILES | C1(=CC(=CC=C1F)C(OC(CCC)CCCCCCCCCCC)=O)F |