| SpectraBase Compound ID | 2FWQne6mCLK |
|---|---|
| InChI | InChI=1S/C9H9ClF8O2/c10-3-1-2-5(19)20-4-7(13,14)9(17,18)8(15,16)6(11)12/h6H,1-4H2 |
| InChIKey | NAZQCNNUKQMBEO-UHFFFAOYSA-N |
| Mol Weight | 336.61 g/mol |
| Molecular Formula | C9H9ClF8O2 |
| Exact Mass | 336.016333 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IcOR3V0cklu |
|---|---|
| Name | 4-Chlorobutyric acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.016332532 u |
| Formula | C9H9ClF8O2 |
| InChI | InChI=1S/C9H9ClF8O2/c10-3-1-2-5(19)20-4-7(13,14)9(17,18)8(15,16)6(11)12/h6H,1-4H2 |
| InChIKey | NAZQCNNUKQMBEO-UHFFFAOYSA-N |
| Molecular Weight | 336.609 g/mol |
| SMILES | C(Cl)CCC(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F |