| SpectraBase Compound ID | AoV4NtTT1C8 |
|---|---|
| InChI | InChI=1S/C11H5F9O2/c12-6-1-2-7(13)5(3-6)4-22-8(21)9(14,15)10(16,17)11(18,19)20/h1-3H,4H2 |
| InChIKey | KVEGXTMATJLQSF-UHFFFAOYSA-N |
| Mol Weight | 340.14 g/mol |
| Molecular Formula | C11H5F9O2 |
| Exact Mass | 340.014583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LJIEntnc7gL |
|---|---|
| Name | 2,5-Difluorobenzyl alcohol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.014582866 u |
| Formula | C11H5F9O2 |
| InChI | InChI=1S/C11H5F9O2/c12-6-1-2-7(13)5(3-6)4-22-8(21)9(14,15)10(16,17)11(18,19)20/h1-3H,4H2 |
| InChIKey | KVEGXTMATJLQSF-UHFFFAOYSA-N |
| Molecular Weight | 340.145 g/mol |
| SMILES | C1(=C(C=CC(=C1)F)F)COC(=O)C(C(C(F)(F)F)(F)F)(F)F |