| SpectraBase Compound ID | BUWmOyOuZxQ |
|---|---|
| InChI | InChI=1S/C22H33FO4/c1-2-3-17-26-21(24)14-8-6-4-5-7-9-15-22(25)27-18-16-19-12-10-11-13-20(19)23/h10-13H,2-9,14-18H2,1H3 |
| InChIKey | UVBLOTGMGRZALD-UHFFFAOYSA-N |
| Mol Weight | 380.5 g/mol |
| Molecular Formula | C22H33FO4 |
| Exact Mass | 380.236288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CRWyFaw57Kj |
|---|---|
| Name | Sebacic acid, butyl 2-(2-fluorophenyl)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.236287702 u |
| Formula | C22H33FO4 |
| InChI | InChI=1S/C22H33FO4/c1-2-3-17-26-21(24)14-8-6-4-5-7-9-15-22(25)27-18-16-19-12-10-11-13-20(19)23/h10-13H,2-9,14-18H2,1H3 |
| InChIKey | UVBLOTGMGRZALD-UHFFFAOYSA-N |
| Molecular Weight | 380.500 g/mol |
| SMILES | C(CCCCCCC(OCCCC)=O)CC(OCCC1=C(C=CC=C1)F)=O |