| SpectraBase Compound ID | JmJPEbxsFWH |
|---|---|
| InChI | InChI=1S/C14H12N2O2/c1-10-7-13(17)16(14(18)12(10)8-15)9-11-5-3-2-4-6-11/h2-7,17H,9H2,1H3 |
| InChIKey | YSQOCAKXILHFQX-UHFFFAOYSA-N |
| Mol Weight | 240.26 g/mol |
| Molecular Formula | C14H12N2O2 |
| Exact Mass | 240.089878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9eG7UWS4A83 |
|---|---|
| Name | 1-Benzyl-6-hydroxy-4-methyl-2(1H)-oxo-3-pyridinecarbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.089877632 u |
| Formula | C14H12N2O2 |
| InChI | InChI=1S/C14H12N2O2/c1-10-7-13(17)16(14(18)12(10)8-15)9-11-5-3-2-4-6-11/h2-7,17H,9H2,1H3 |
| InChIKey | YSQOCAKXILHFQX-UHFFFAOYSA-N |
| Molecular Weight | 240.262 g/mol |
| SMILES | C1=CC=C(C=C1)CN1C(C(C#N)=C(C=C1O)C)=O |