| SpectraBase Compound ID | 12DGdsp9FGF |
|---|---|
| InChI | InChI=1S/C13H12N2O2/c1-9-6-10(2)15(13(16)12(9)7-14)8-11-4-3-5-17-11/h3-6H,8H2,1-2H3 |
| InChIKey | BHXRIHABCIUUSY-UHFFFAOYSA-N |
| Mol Weight | 228.25 g/mol |
| Molecular Formula | C13H12N2O2 |
| Exact Mass | 228.089878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8c2GRVIHJik |
|---|---|
| Name | 3-Pyridinecarbonitrile, 1-(2-furanylmethyl)-1,2-dihydro-4,6-dimethyl-2-oxo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.089877632 u |
| Formula | C13H12N2O2 |
| InChI | InChI=1S/C13H12N2O2/c1-9-6-10(2)15(13(16)12(9)7-14)8-11-4-3-5-17-11/h3-6H,8H2,1-2H3 |
| InChIKey | BHXRIHABCIUUSY-UHFFFAOYSA-N |
| Molecular Weight | 228.251 g/mol |
| SMILES | C=1(C(N(C(=CC1C)C)CC=1OC=CC1)=O)C#N |