![[(Dimethylamino)(4-phenyl-1-piperazinyl)methylene]malononitrile](/api/spectrum/4Jr3pgggtpN/structure.png?h=300&w=458 "[(Dimethylamino)(4-phenyl-1-piperazinyl)methylene]malononitrile")
| SpectraBase Compound ID | 3Jq9TdWAcCk |
|---|---|
| InChI | InChI=1S/C16H19N5/c1-19(2)16(14(12-17)13-18)21-10-8-20(9-11-21)15-6-4-3-5-7-15/h3-7H,8-11H2,1-2H3 |
| InChIKey | AXLVZLBLZHIGIH-UHFFFAOYSA-N |
| Mol Weight | 281.36 g/mol |
| Molecular Formula | C16H19N5 |
| Exact Mass | 281.164046 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Jr3pgggtpN |
|---|---|
| Name | [(Dimethylamino)(4-phenyl-1-piperazinyl)methylene]malononitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.164045632 u |
| Formula | C16H19N5 |
| InChI | InChI=1S/C16H19N5/c1-19(2)16(14(12-17)13-18)21-10-8-20(9-11-21)15-6-4-3-5-7-15/h3-7H,8-11H2,1-2H3 |
| InChIKey | AXLVZLBLZHIGIH-UHFFFAOYSA-N |
| Molecular Weight | 281.363 g/mol |
| SMILES | CN(C(N1CCN(C=2C=CC=CC2)CC1)=C(C#N)C#N)C |