| SpectraBase Compound ID | D4Z864PC8T2 |
|---|---|
| InChI | InChI=1S/C19H22N4/c1-15-12-16(2)21-19(18(15)13-20)23-10-8-22(9-11-23)14-17-6-4-3-5-7-17/h3-7,12H,8-11,14H2,1-2H3 |
| InChIKey | ULOBBDPUQZSUTI-UHFFFAOYSA-N |
| Mol Weight | 306.41 g/mol |
| Molecular Formula | C19H22N4 |
| Exact Mass | 306.184447 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DAtr0TOC7SA |
|---|---|
| Name | 2-(4-Benzyl-1-piperazinyl)-4,6-dimethylnicotinonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.184446724 u |
| Formula | C19H22N4 |
| InChI | InChI=1S/C19H22N4/c1-15-12-16(2)21-19(18(15)13-20)23-10-8-22(9-11-23)14-17-6-4-3-5-7-17/h3-7,12H,8-11,14H2,1-2H3 |
| InChIKey | ULOBBDPUQZSUTI-UHFFFAOYSA-N |
| Molecular Weight | 306.413 g/mol |
| SMILES | C1(=C(C(C)=CC(=N1)C)C#N)N1CCN(CC1)CC=1C=CC=CC1 |