| SpectraBase Compound ID | EronVpf5wew |
|---|---|
| InChI | InChI=1S/C24H36F2O4/c1-2-3-4-5-10-13-16-29-23(27)14-11-8-6-7-9-12-15-24(28)30-22-18-20(25)17-21(26)19-22/h17-19H,2-16H2,1H3 |
| InChIKey | LIBHTAMKVAMZQG-UHFFFAOYSA-N |
| Mol Weight | 426.5 g/mol |
| Molecular Formula | C24H36F2O4 |
| Exact Mass | 426.258166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FwgzCuOBBz8 |
|---|---|
| Name | Sebacic acid, 3,5-difluorophenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.258165961 u |
| Formula | C24H36F2O4 |
| InChI | InChI=1S/C24H36F2O4/c1-2-3-4-5-10-13-16-29-23(27)14-11-8-6-7-9-12-15-24(28)30-22-18-20(25)17-21(26)19-22/h17-19H,2-16H2,1H3 |
| InChIKey | LIBHTAMKVAMZQG-UHFFFAOYSA-N |
| Molecular Weight | 426.545 g/mol |
| SMILES | C(CCCCCCC(OC1=CC(=CC(=C1)F)F)=O)CC(OCCCCCCCC)=O |