| SpectraBase Compound ID | K8vbDowfF9p |
|---|---|
| InChI | InChI=1S/C9H11NO2/c1-7(11)9(12)6-8-4-2-3-5-10-8/h2-5,7,11H,6H2,1H3/t7-/m0/s1 |
| InChIKey | CPCDAJOUMYKPHU-ZETCQYMHSA-N |
| Mol Weight | 165.19 g/mol |
| Molecular Formula | C9H11NO2 |
| Exact Mass | 165.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7kTGGGBqhNK |
|---|---|
| Name | (S)-1-(2-Pyridyl)-3-hydroxybutane-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.078978596 u |
| Formula | C9H11NO2 |
| InChI | InChI=1S/C9H11NO2/c1-7(11)9(12)6-8-4-2-3-5-10-8/h2-5,7,11H,6H2,1H3/t7-/m0/s1 |
| InChIKey | CPCDAJOUMYKPHU-ZETCQYMHSA-N |
| Molecular Weight | 165.192 g/mol |
| SMILES | C(CC1=NC=CC=C1)(=O)[C@@](O)(C)[H] |