| SpectraBase Compound ID | 8IK8WRnkvVu |
|---|---|
| InChI | InChI=1S/C12H9NO2/c14-12(10-4-2-1-3-5-10)11-6-8-13(15)9-7-11/h1-9H |
| InChIKey | UQNSTGILJBPJQN-UHFFFAOYSA-N |
| Mol Weight | 199.21 g/mol |
| Molecular Formula | C12H9NO2 |
| Exact Mass | 199.063329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4XLkrS4f9Pq |
|---|---|
| Name | 4-Benzoyl-pyridine-1-oxide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.063328532 u |
| Formula | C12H9NO2 |
| InChI | InChI=1S/C12H9NO2/c14-12(10-4-2-1-3-5-10)11-6-8-13(15)9-7-11/h1-9H |
| InChIKey | UQNSTGILJBPJQN-UHFFFAOYSA-N |
| Molecular Weight | 199.209 g/mol |
| SMILES | C(=O)(C=1C=CN(=CC1)=O)C1=CC=CC=C1 |