| SpectraBase Compound ID | CHxSIs2feFo |
|---|---|
| InChI | InChI=1S/C12H9F5O3/c13-7-6(8(14)10(16)11(17)9(7)15)12(18)20-4-5-2-1-3-19-5/h5H,1-4H2 |
| InChIKey | CNMSUZRKPAGPMC-UHFFFAOYSA-N |
| Mol Weight | 296.19 g/mol |
| Molecular Formula | C12H9F5O3 |
| Exact Mass | 296.047185 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Aw8qkV2D1Rf |
|---|---|
| Name | Pentafluorobenzoic acid, 2-tetrahydrofurylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.047184962 u |
| Formula | C12H9F5O3 |
| InChI | InChI=1S/C12H9F5O3/c13-7-6(8(14)10(16)11(17)9(7)15)12(18)20-4-5-2-1-3-19-5/h5H,1-4H2 |
| InChIKey | CNMSUZRKPAGPMC-UHFFFAOYSA-N |
| Molecular Weight | 296.193 g/mol |
| SMILES | C1CCOC1COC(=O)C1=C(F)C(=C(C(=C1F)F)F)F |