| SpectraBase Compound ID | AHTI10kDzMR |
|---|---|
| InChI | InChI=1S/C12H9F7O2/c13-10(14,11(15,16)12(17,18)19)9(20)21-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | HUHVUDFNUXMVGY-UHFFFAOYSA-N |
| Mol Weight | 318.19 g/mol |
| Molecular Formula | C12H9F7O2 |
| Exact Mass | 318.049077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3yfZ3zF009D |
|---|---|
| Name | 1-Heptafluorobutyryloxy-2-phenylethane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.049076669 u |
| Formula | C12H9F7O2 |
| InChI | InChI=1S/C12H9F7O2/c13-10(14,11(15,16)12(17,18)19)9(20)21-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | HUHVUDFNUXMVGY-UHFFFAOYSA-N |
| Molecular Weight | 318.191 g/mol |
| SMILES | C(COC(C(F)(C(C(F)(F)F)(F)F)F)=O)C1=CC=CC=C1 |