| SpectraBase Compound ID | CwlHv4i84GM |
|---|---|
| InChI | InChI=1S/C6H15N.C5H3F6O2/c1-4-7(5-2)6-3;1-13-3(12)2(4(6,7)8)5(9,10)11/h4-6H2,1-3H3;1H3/q;-1/p+1 |
| InChIKey | PBJAWKFBGZNWFE-UHFFFAOYSA-O |
| Mol Weight | 311.27 g/mol |
| Molecular Formula | C11H19F6NO2 |
| Exact Mass | 311.131998 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F8A4EyqZfVl |
|---|---|
| Name | Methyl alpha-hydrohexafluoroisobutyrate, triethylammonium salt |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.131997832 u |
| Formula | C11H19F6NO2 |
| InChI | InChI=1S/C6H15N.C5H3F6O2/c1-4-7(5-2)6-3;1-13-3(12)2(4(6,7)8)5(9,10)11/h4-6H2,1-3H3;1H3/q;-1/p+1 |
| InChIKey | PBJAWKFBGZNWFE-UHFFFAOYSA-O |
| Molecular Weight | 311.268 g/mol |
| SMILES | C([NH+](CC)CC)C.C([C-](C(OC)=O)C(F)(F)F)(F)(F)F |