![3-Heptanone oxime, o-[(pentafluorophenyl)methyl]-](/api/spectrum/1m5De7F1qcM/structure.png?h=300&w=458 "3-Heptanone oxime, o-[(pentafluorophenyl)methyl]-")
| SpectraBase Compound ID | 1KmKvO8wSXH |
|---|---|
| InChI | InChI=1S/C14H16F5NO/c1-3-5-6-8(4-2)20-21-7-9-10(15)12(17)14(19)13(18)11(9)16/h3-7H2,1-2H3/b20-8+ |
| InChIKey | FJRLIPKWSCLEBV-DNTJNYDQSA-N |
| Mol Weight | 309.28 g/mol |
| Molecular Formula | C14H16F5NO |
| Exact Mass | 309.115205 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1m5De7F1qcM |
|---|---|
| Name | 3-Heptanone oxime, o-[(pentafluorophenyl)methyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.115204953 u |
| Formula | C14H16F5NO |
| InChI | InChI=1S/C14H16F5NO/c1-3-5-6-8(4-2)20-21-7-9-10(15)12(17)14(19)13(18)11(9)16/h3-7H2,1-2H3/b20-8+ |
| InChIKey | FJRLIPKWSCLEBV-DNTJNYDQSA-N |
| Molecular Weight | 309.280 g/mol |
| SMILES | CCCC\C(CC)=N\OCC1=C(F)C(F)=C(C(=C1F)F)F |