| SpectraBase Compound ID | 2I0Kpr18Yjg |
|---|---|
| InChI | InChI=1S/C16H12F5NO/c17-12-11(13(18)15(20)16(21)14(12)19)9-23-22-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,8H,4,7,9H2/b22-8- |
| InChIKey | BTOBYSBFCMVTAO-UYOCIXKTSA-N |
| Mol Weight | 329.27 g/mol |
| Molecular Formula | C16H12F5NO |
| Exact Mass | 329.083905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D9jVrZuMUL6 |
|---|---|
| Name | 3-Phenylpropionaldehyde o-pentafluorophenylmethyl-oxime |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.083904824 u |
| Formula | C16H12F5NO |
| InChI | InChI=1S/C16H12F5NO/c17-12-11(13(18)15(20)16(21)14(12)19)9-23-22-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,8H,4,7,9H2/b22-8- |
| InChIKey | BTOBYSBFCMVTAO-UYOCIXKTSA-N |
| Molecular Weight | 329.270 g/mol |
| SMILES | C1=CC=C(C=C1)CC\C=N/OCC1=C(C(=C(C(=C1F)F)F)F)F |