![3,3-Dimethyl-2-butanone oxime, o-[(pentafluorophenyl)methyl]-](/api/spectrum/2Pnm9EuX4Yx/structure.png?h=300&w=458 "3,3-Dimethyl-2-butanone oxime, o-[(pentafluorophenyl)methyl]-")
| SpectraBase Compound ID | 3oBfEIbcTNh |
|---|---|
| InChI | InChI=1S/C13H14F5NO/c1-6(13(2,3)4)19-20-5-7-8(14)10(16)12(18)11(17)9(7)15/h5H2,1-4H3/b19-6- |
| InChIKey | NCKXHYIKHBWOBH-SWNXQHNESA-N |
| Mol Weight | 295.25 g/mol |
| Molecular Formula | C13H14F5NO |
| Exact Mass | 295.099555 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Pnm9EuX4Yx |
|---|---|
| Name | 3,3-Dimethyl-2-butanone oxime, o-[(pentafluorophenyl)methyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.099554889 u |
| Formula | C13H14F5NO |
| InChI | InChI=1S/C13H14F5NO/c1-6(13(2,3)4)19-20-5-7-8(14)10(16)12(18)11(17)9(7)15/h5H2,1-4H3/b19-6- |
| InChIKey | NCKXHYIKHBWOBH-SWNXQHNESA-N |
| Molecular Weight | 295.253 g/mol |
| SMILES | C\C(=N\OCC1=C(F)C(F)=C(C(=C1F)F)F)C(C)(C)C |