| SpectraBase Compound ID | 46NN7YWZOZ8 |
|---|---|
| InChI | InChI=1S/C12H9F5O2/c1-4-12(2,3)19-11(18)5-6(13)8(15)10(17)9(16)7(5)14/h4H,1H2,2-3H3 |
| InChIKey | FINXHHHKTCEMDY-UHFFFAOYSA-N |
| Mol Weight | 280.19 g/mol |
| Molecular Formula | C12H9F5O2 |
| Exact Mass | 280.05227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jq58w0vP7j3 |
|---|---|
| Name | 2-Methylbut-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 | 280.052270343 u |
| Formula | C12H9F5O2 |
| InChI | InChI=1S/C12H9F5O2/c1-4-12(2,3)19-11(18)5-6(13)8(15)10(17)9(16)7(5)14/h4H,1H2,2-3H3 |
| InChIKey | FINXHHHKTCEMDY-UHFFFAOYSA-N |
| Molecular Weight | 280.194 g/mol |
| SMILES | C=CC(OC(C1=C(C(=C(C(=C1F)F)F)F)F)=O)(C)C |