| SpectraBase Compound ID | B55X1Pj6orH |
|---|---|
| InChI | InChI=1S/C11H16ClF5O2/c12-7-5-3-1-2-4-6-8-19-9(18)10(13,14)11(15,16)17/h1-8H2 |
| InChIKey | ZEXPGMONEHPQPZ-UHFFFAOYSA-N |
| Mol Weight | 310.69 g/mol |
| Molecular Formula | C11H16ClF5O2 |
| Exact Mass | 310.075898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3unKpdZh535 |
|---|---|
| Name | 8-Chloro-1-octanol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.075898268 u |
| Formula | C11H16ClF5O2 |
| InChI | InChI=1S/C11H16ClF5O2/c12-7-5-3-1-2-4-6-8-19-9(18)10(13,14)11(15,16)17/h1-8H2 |
| InChIKey | ZEXPGMONEHPQPZ-UHFFFAOYSA-N |
| Molecular Weight | 310.692 g/mol |
| SMILES | C(Cl)CCCCCCCOC(C(C(F)(F)F)(F)F)=O |