| SpectraBase Compound ID | AWCuM3a8mLR |
|---|---|
| InChI | InChI=1S/C11H13ClF8O2/c12-5-3-1-2-4-7(21)22-6-9(15,16)11(19,20)10(17,18)8(13)14/h8H,1-6H2 |
| InChIKey | HAVKFWBJGWWDNB-UHFFFAOYSA-N |
| Mol Weight | 364.66 g/mol |
| Molecular Formula | C11H13ClF8O2 |
| Exact Mass | 364.047633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BLXemM4wVO |
|---|---|
| Name | 6-Chlorohexanoic 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 | 364.047632661 u |
| Formula | C11H13ClF8O2 |
| InChI | InChI=1S/C11H13ClF8O2/c12-5-3-1-2-4-7(21)22-6-9(15,16)11(19,20)10(17,18)8(13)14/h8H,1-6H2 |
| InChIKey | HAVKFWBJGWWDNB-UHFFFAOYSA-N |
| Molecular Weight | 364.663 g/mol |
| SMILES | C(CCCCCCl)(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F |