| SpectraBase Compound ID | DB86ZFXCpOT |
|---|---|
| InChI | InChI=1S/C7H7F5O2/c1-2-3-4-14-5(13)6(8,9)7(10,11)12/h2-3H,4H2,1H3/b3-2+ |
| InChIKey | XQTSJZNHOJRYQC-NSCUHMNNSA-N |
| Mol Weight | 218.12 g/mol |
| Molecular Formula | C7H7F5O2 |
| Exact Mass | 218.03662 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AvDmVn7rSpq |
|---|---|
| Name | Crotyl alcohol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.036620278 u |
| Formula | C7H7F5O2 |
| InChI | InChI=1S/C7H7F5O2/c1-2-3-4-14-5(13)6(8,9)7(10,11)12/h2-3H,4H2,1H3/b3-2+ |
| InChIKey | XQTSJZNHOJRYQC-NSCUHMNNSA-N |
| Molecular Weight | 218.123 g/mol |
| SMILES | C\C=C\COC(C(C(F)(F)F)(F)F)=O |