| SpectraBase Compound ID | 7HTpP4IsoV6 |
|---|---|
| InChI | InChI=1S/C24H38F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-24(27)21-17-18-22(25)23(26)20-21/h17-18,20H,2-16,19H2,1H3 |
| InChIKey | ACVMCAPOOFVSKJ-UHFFFAOYSA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C24H38F2O2 |
| Exact Mass | 396.283987 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4syePMpoCEt |
|---|---|
| Name | 3,4-Difluorobenzoic acid, heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.283986788 u |
| Formula | C24H38F2O2 |
| InChI | InChI=1S/C24H38F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-24(27)21-17-18-22(25)23(26)20-21/h17-18,20H,2-16,19H2,1H3 |
| InChIKey | ACVMCAPOOFVSKJ-UHFFFAOYSA-N |
| Molecular Weight | 396.563 g/mol |
| SMILES | C(CCCCCCCCCOC(C1=CC(=C(C=C1)F)F)=O)CCCCCCC |