| SpectraBase Compound ID | JMjca594nhO |
|---|---|
| InChI | InChI=1S/C13H15NO/c1-10-4-6-11(7-5-10)9-12-3-2-8-14-13(12)15/h4-7,9H,2-3,8H2,1H3,(H,14,15)/b12-9+ |
| InChIKey | LQKILDGDNLWFLY-FMIVXFBMSA-N |
| Mol Weight | 201.27 g/mol |
| Molecular Formula | C13H15NO |
| Exact Mass | 201.115364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FXOPLTBJf1D |
|---|---|
| Name | (E)-3-(4-Methylphenyl)methylene-2-piperidinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.115364106 u |
| Formula | C13H15NO |
| InChI | InChI=1S/C13H15NO/c1-10-4-6-11(7-5-10)9-12-3-2-8-14-13(12)15/h4-7,9H,2-3,8H2,1H3,(H,14,15)/b12-9+ |
| InChIKey | LQKILDGDNLWFLY-FMIVXFBMSA-N |
| Molecular Weight | 201.269 g/mol |
| SMILES | C1(\C(=C\C=2C=CC(=CC2)C)CCCN1)=O |