![N-Butanal, o-[(pentafluorophenyl)methyl]oxime](/api/spectrum/GyrioPsydfa/structure.png?h=300&w=458 "N-Butanal, o-[(pentafluorophenyl)methyl]oxime")
| SpectraBase Compound ID | 8f24HyV0Lmi |
|---|---|
| InChI | InChI=1S/C11H10F5NO/c1-2-3-4-17-18-5-6-7(12)9(14)11(16)10(15)8(6)13/h4H,2-3,5H2,1H3/b17-4+ |
| InChIKey | MDJOICYRBFIYJJ-HAVNEIBRSA-N |
| Mol Weight | 267.2 g/mol |
| Molecular Formula | C11H10F5NO |
| Exact Mass | 267.068255 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GyrioPsydfa |
|---|---|
| Name | N-Butanal, o-[(pentafluorophenyl)methyl]oxime |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.068254760 u |
| Formula | C11H10F5NO |
| InChI | InChI=1S/C11H10F5NO/c1-2-3-4-17-18-5-6-7(12)9(14)11(16)10(15)8(6)13/h4H,2-3,5H2,1H3/b17-4+ |
| InChIKey | MDJOICYRBFIYJJ-HAVNEIBRSA-N |
| Molecular Weight | 267.199 g/mol |
| SMILES | CCC\C=N\OCC1=C(F)C(F)=C(C(=C1F)F)F |