![2-Pentanone oxime, o-[(pentafluorophenyl)methyl]-](/api/spectrum/9B9CIbWiarC/structure.png?h=300&w=458 "2-Pentanone oxime, o-[(pentafluorophenyl)methyl]-")
| SpectraBase Compound ID | L63M0S7l2nO |
|---|---|
| InChI | InChI=1S/C12H12F5NO/c1-3-4-6(2)18-19-5-7-8(13)10(15)12(17)11(16)9(7)14/h3-5H2,1-2H3/b18-6+ |
| InChIKey | YKQOTQPNOJSJFA-NGYBGAFCSA-N |
| Mol Weight | 281.23 g/mol |
| Molecular Formula | C12H12F5NO |
| Exact Mass | 281.083905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9B9CIbWiarC |
|---|---|
| Name | 2-Pentanone oxime, o-[(pentafluorophenyl)methyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.083904824 u |
| Formula | C12H12F5NO |
| InChI | InChI=1S/C12H12F5NO/c1-3-4-6(2)18-19-5-7-8(13)10(15)12(17)11(16)9(7)14/h3-5H2,1-2H3/b18-6+ |
| InChIKey | YKQOTQPNOJSJFA-NGYBGAFCSA-N |
| Molecular Weight | 281.226 g/mol |
| SMILES | CCC\C(C)=N\OCC1=C(F)C(F)=C(C(=C1F)F)F |