![2-[2-(4-Methylpiperidino)benzylidene]-malononitrile](/api/spectrum/BWrvK3bd6rL/structure.png?h=300&w=458 "2-[2-(4-Methylpiperidino)benzylidene]-malononitrile")
| SpectraBase Compound ID | EvX8BQoiVlY |
|---|---|
| InChI | InChI=1S/C16H17N3/c1-13-6-8-19(9-7-13)16-5-3-2-4-15(16)10-14(11-17)12-18/h2-5,10,13H,6-9H2,1H3 |
| InChIKey | MRCMYNOZSNSZSS-UHFFFAOYSA-N |
| Mol Weight | 251.33 g/mol |
| Molecular Formula | C16H17N3 |
| Exact Mass | 251.142248 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BWrvK3bd6rL |
|---|---|
| Name | 2-[2-(4-Methylpiperidino)benzylidene]-malononitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.142247559 u |
| Formula | C16H17N3 |
| InChI | InChI=1S/C16H17N3/c1-13-6-8-19(9-7-13)16-5-3-2-4-15(16)10-14(11-17)12-18/h2-5,10,13H,6-9H2,1H3 |
| InChIKey | MRCMYNOZSNSZSS-UHFFFAOYSA-N |
| Molecular Weight | 251.333 g/mol |
| SMILES | C=1(N2CCC(CC2)C)C(C=C(C#N)C#N)=CC=CC1 |