| SpectraBase Compound ID | 22PWwvFpwlv |
|---|---|
| InChI | InChI=1S/C9H10F6O4/c10-8(11,12)6(16)18-4-2-1-3-5-19-7(17)9(13,14)15/h1-5H2 |
| InChIKey | DERGOIOGHQZVDF-UHFFFAOYSA-N |
| Mol Weight | 296.17 g/mol |
| Molecular Formula | C9H10F6O4 |
| Exact Mass | 296.048328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IAotaMXS4I5 |
|---|---|
| Name | Acetic acid, trifluoro-, 1,5-pentanediyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.048327776 u |
| Formula | C9H10F6O4 |
| InChI | InChI=1S/C9H10F6O4/c10-8(11,12)6(16)18-4-2-1-3-5-19-7(17)9(13,14)15/h1-5H2 |
| InChIKey | DERGOIOGHQZVDF-UHFFFAOYSA-N |
| Molecular Weight | 296.165 g/mol |
| SMILES | C(OCCCCCOC(C(F)(F)F)=O)(C(F)(F)F)=O |