| SpectraBase Compound ID | 2IH3LrEuyOa |
|---|---|
| InChI | InChI=1S/C11H7F5O2/c1-3-4(2)18-11(17)5-6(12)8(14)10(16)9(15)7(5)13/h3-4H,1H2,2H3 |
| InChIKey | PZMQKVKARMYMTG-UHFFFAOYSA-N |
| Mol Weight | 266.17 g/mol |
| Molecular Formula | C11H7F5O2 |
| Exact Mass | 266.03662 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Al9dtXS4AxI |
|---|---|
| Name | but-3-en-2-yl 2,3,4,5,6-Pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.036620278 u |
| Formula | C11H7F5O2 |
| InChI | InChI=1S/C11H7F5O2/c1-3-4(2)18-11(17)5-6(12)8(14)10(16)9(15)7(5)13/h3-4H,1H2,2H3 |
| InChIKey | PZMQKVKARMYMTG-UHFFFAOYSA-N |
| Molecular Weight | 266.167 g/mol |
| SMILES | C=CC(OC(C1=C(C(=C(F)C(=C1F)F)F)F)=O)C |