| SpectraBase Compound ID | BsNQ90MyaxE |
|---|---|
| InChI | InChI=1S/2C9H10N2O/c2*1-5-6(2)8(4-10)9(12)11-7(5)3/h2*1-3H3,(H,11,12) |
| InChIKey | FBOPVBKEAGLBBY-UHFFFAOYSA-N |
| Mol Weight | 162.19 g/mol |
| Molecular Formula | C9H10N2O |
| Exact Mass | 162.079313 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6rG8AVNrdl2 |
|---|---|
| Name | 1,2-Dihydro-2-oxo-4,5,6-trimethylnicotinonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.079312949 u |
| Formula | C9H10N2O |
| InChI | InChI=1S/2C9H10N2O/c2*1-5-6(2)8(4-10)9(12)11-7(5)3/h2*1-3H3,(H,11,12) |
| InChIKey | FBOPVBKEAGLBBY-UHFFFAOYSA-N |
| SMILES | CC1=C(C(=C(C(N1)=O)C#N)C)C.OC1=NC(=C(C(=C1C#N)C)C)C |