| SpectraBase Compound ID | AXE1vcJDz1b |
|---|---|
| InChI | InChI=1S/C11H14N2O/c1-4-5-13-9(3)6-8(2)10(7-12)11(13)14/h6H,4-5H2,1-3H3 |
| InChIKey | HNASVZNXLZNCLM-UHFFFAOYSA-N |
| Mol Weight | 190.25 g/mol |
| Molecular Formula | C11H14N2O |
| Exact Mass | 190.110613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Hh0pJwyJLL |
|---|---|
| Name | 3-Pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-2-oxo-1-propyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.110613078 u |
| Formula | C11H14N2O |
| InChI | InChI=1S/C11H14N2O/c1-4-5-13-9(3)6-8(2)10(7-12)11(13)14/h6H,4-5H2,1-3H3 |
| InChIKey | HNASVZNXLZNCLM-UHFFFAOYSA-N |
| Molecular Weight | 190.246 g/mol |
| SMILES | C=1(C(N(CCC)C(=CC1C)C)=O)C#N |