![Butanal, 2-methyl-o-[(pentafluorophenyl)methyl]oxime](/api/spectrum/D4cEFjxxtly/structure.png?h=300&w=458 "Butanal, 2-methyl-o-[(pentafluorophenyl)methyl]oxime")
| SpectraBase Compound ID | Ab3lDWZMoIv |
|---|---|
| InChI | InChI=1S/C12H12F5NO/c1-3-6(2)4-18-19-5-7-8(13)10(15)12(17)11(16)9(7)14/h4,6H,3,5H2,1-2H3/b18-4+ |
| InChIKey | PDLBONFBKDIFOI-JJPRUIFNSA-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 | D4cEFjxxtly |
|---|---|
| Name | Butanal, 2-methyl-o-[(pentafluorophenyl)methyl]oxime |
| 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/c1-3-6(2)4-18-19-5-7-8(13)10(15)12(17)11(16)9(7)14/h4,6H,3,5H2,1-2H3/b18-4+ |
| InChIKey | PDLBONFBKDIFOI-JJPRUIFNSA-N |
| Molecular Weight | 281.226 g/mol |
| SMILES | CCC(C)\C=N\OCC1=C(F)C(F)=C(C(=C1F)F)F |