![Benzeneacetonitrile, 4-[1-(phenylmethyl)-4-piperidyl]-](/api/spectrum/KUeq0lXeaP9/structure.png?h=300&w=458 "Benzeneacetonitrile, 4-[1-(phenylmethyl)-4-piperidyl]-")
| SpectraBase Compound ID | CjW5b3JcjGs |
|---|---|
| InChI | InChI=1S/C20H22N2/c21-13-10-17-6-8-19(9-7-17)20-11-14-22(15-12-20)16-18-4-2-1-3-5-18/h1-9,20H,10-12,14-16H2 |
| InChIKey | KYONURHUYBICEP-UHFFFAOYSA-N |
| Mol Weight | 290.41 g/mol |
| Molecular Formula | C20H22N2 |
| Exact Mass | 290.178299 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KUeq0lXeaP9 |
|---|---|
| Name | Benzeneacetonitrile, 4-[1-(phenylmethyl)-4-piperidyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.178298716 u |
| Formula | C20H22N2 |
| InChI | InChI=1S/C20H22N2/c21-13-10-17-6-8-19(9-7-17)20-11-14-22(15-12-20)16-18-4-2-1-3-5-18/h1-9,20H,10-12,14-16H2 |
| InChIKey | KYONURHUYBICEP-UHFFFAOYSA-N |
| Molecular Weight | 290.410 g/mol |
| SMILES | C1(CCN(CC1)CC1=CC=CC=C1)C1=CC=C(C=C1)CC#N |