![.alpha.-[3-Pyridyl]-4-chloroacetophenone](/api/spectrum/FfNEVxbicKm/structure.png?h=300&w=458 ".alpha.-[3-Pyridyl]-4-chloroacetophenone")
| SpectraBase Compound ID | FcejJW660VZ |
|---|---|
| InChI | InChI=1S/C13H10ClNO/c14-12-5-3-11(4-6-12)13(16)8-10-2-1-7-15-9-10/h1-7,9H,8H2 |
| InChIKey | XPSQHYPYPLUYAC-UHFFFAOYSA-N |
| Mol Weight | 231.68 g/mol |
| Molecular Formula | C13H10ClNO |
| Exact Mass | 231.045092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FfNEVxbicKm |
|---|---|
| Name | .alpha.-[3-Pyridyl]-4-chloroacetophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.045091645 u |
| Formula | C13H10ClNO |
| InChI | InChI=1S/C13H10ClNO/c14-12-5-3-11(4-6-12)13(16)8-10-2-1-7-15-9-10/h1-7,9H,8H2 |
| InChIKey | XPSQHYPYPLUYAC-UHFFFAOYSA-N |
| Molecular Weight | 231.682 g/mol |
| SMILES | C1(=CC=C(C=C1)Cl)C(CC1=CC=CN=C1)=O |