| SpectraBase Compound ID | 12cceQ0qzXI |
|---|---|
| InChI | InChI=1S/C10H11NO2/c1-7(8(2)12)10(13)9-5-3-4-6-11-9/h3-7H,1-2H3 |
| InChIKey | GNIZQOKXYDYGRU-UHFFFAOYSA-N |
| Mol Weight | 177.2 g/mol |
| Molecular Formula | C10H11NO2 |
| Exact Mass | 177.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DIPy5fAEib7 |
|---|---|
| Name | 2-Methyl-1-(2-pyridinyl)butane-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.078978596 u |
| Formula | C10H11NO2 |
| InChI | InChI=1S/C10H11NO2/c1-7(8(2)12)10(13)9-5-3-4-6-11-9/h3-7H,1-2H3 |
| InChIKey | GNIZQOKXYDYGRU-UHFFFAOYSA-N |
| Molecular Weight | 177.203 g/mol |
| SMILES | C(C(C(=O)C)C)(C1=NC=CC=C1)=O |