| SpectraBase Compound ID | KMv5cPxSBzG |
|---|---|
| InChI | InChI=1S/C10H3F9O2/c11-3-2(4(12)6(14)7(15)5(3)13)8(20)21-1-10(18,19)9(16)17/h9H,1H2 |
| InChIKey | ODNUJPSRSVZCFP-UHFFFAOYSA-N |
| Mol Weight | 326.12 g/mol |
| Molecular Formula | C10H3F9O2 |
| Exact Mass | 325.998933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GWDc06WIX6v |
|---|---|
| Name | 2,2,3,3-Tetrafluoropropyl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.998932802 u |
| Formula | C10H3F9O2 |
| InChI | InChI=1S/C10H3F9O2/c11-3-2(4(12)6(14)7(15)5(3)13)8(20)21-1-10(18,19)9(16)17/h9H,1H2 |
| InChIKey | ODNUJPSRSVZCFP-UHFFFAOYSA-N |
| Molecular Weight | 326.118 g/mol |
| SMILES | C(C(COC(C1=C(C(=C(C(=C1F)F)F)F)F)=O)(F)F)(F)F |