| SpectraBase Compound ID | LPYEEUfo2xX |
|---|---|
| InChI | InChI=1S/C23H36F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-23(26)20-16-17-21(24)22(25)19-20/h16-17,19H,2-15,18H2,1H3 |
| InChIKey | LWFCMVJWCZOAFZ-UHFFFAOYSA-N |
| Mol Weight | 382.5 g/mol |
| Molecular Formula | C23H36F2O2 |
| Exact Mass | 382.268337 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Be6CDYlh8gJ |
|---|---|
| Name | 3,4-Difluorobenzoic acid, hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.268336723 u |
| Formula | C23H36F2O2 |
| InChI | InChI=1S/C23H36F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-23(26)20-16-17-21(24)22(25)19-20/h16-17,19H,2-15,18H2,1H3 |
| InChIKey | LWFCMVJWCZOAFZ-UHFFFAOYSA-N |
| Molecular Weight | 382.536 g/mol |
| SMILES | C(CCCCCCCCCOC(C1=CC(=C(C=C1)F)F)=O)CCCCCC |