| SpectraBase Compound ID | 8oiN9iXes00 |
|---|---|
| InChI | InChI=1S/C13H12N2O/c14-9-11-5-3-10(4-6-11)8-12-2-1-7-15-13(12)16/h3-6,8H,1-2,7H2,(H,15,16)/b12-8+ |
| InChIKey | JZFRVZGRCZIBGZ-XYOKQWHBSA-N |
| Mol Weight | 212.25 g/mol |
| Molecular Formula | C13H12N2O |
| Exact Mass | 212.094963 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ifl2NN0uSCy |
|---|---|
| Name | (E)-3-(4-Cyanophenyl)methylene-2-piperidinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.094963013 u |
| Formula | C13H12N2O |
| InChI | InChI=1S/C13H12N2O/c14-9-11-5-3-10(4-6-11)8-12-2-1-7-15-13(12)16/h3-6,8H,1-2,7H2,(H,15,16)/b12-8+ |
| InChIKey | JZFRVZGRCZIBGZ-XYOKQWHBSA-N |
| Molecular Weight | 212.252 g/mol |
| SMILES | C1(\C(=C\C=2C=CC(C#N)=CC2)CCCN1)=O |