| SpectraBase Compound ID | 8573RaJRlEs |
|---|---|
| InChI | InChI=1S/C12H15F7O4/c1-2-3-6-22-8(20)5-4-7-23-9(21)10(13,14)11(15,16)12(17,18)19/h2-7H2,1H3 |
| InChIKey | GPLYXKUGAXCCSW-UHFFFAOYSA-N |
| Mol Weight | 356.24 g/mol |
| Molecular Formula | C12H15F7O4 |
| Exact Mass | 356.085856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GyICv30KHdz |
|---|---|
| Name | Butanoic acid, heptafluoro-, 4-butoxy-4-oxobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.085856100 u |
| Formula | C12H15F7O4 |
| InChI | InChI=1S/C12H15F7O4/c1-2-3-6-22-8(20)5-4-7-23-9(21)10(13,14)11(15,16)12(17,18)19/h2-7H2,1H3 |
| InChIKey | GPLYXKUGAXCCSW-UHFFFAOYSA-N |
| Molecular Weight | 356.237 g/mol |
| SMILES | C(C(C(C(F)(F)F)(F)F)(F)F)(OCCCC(OCCCC)=O)=O |