| SpectraBase Compound ID | 3APGM1ynMQP |
|---|---|
| InChI | InChI=1S/C16H22N2/c1-15(2)9-6-10-16(3,4)18(15)14-8-5-7-13(11-14)12-17/h5,7-8,11H,6,9-10H2,1-4H3 |
| InChIKey | DCSCTYLIETURBD-UHFFFAOYSA-N |
| Mol Weight | 242.37 g/mol |
| Molecular Formula | C16H22N2 |
| Exact Mass | 242.178299 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CCHxPcLAJdx |
|---|---|
| Name | 3-(2,2,6,6-Tetramethylpiperidin-1-yl)benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.178298716 u |
| Formula | C16H22N2 |
| InChI | InChI=1S/C16H22N2/c1-15(2)9-6-10-16(3,4)18(15)14-8-5-7-13(11-14)12-17/h5,7-8,11H,6,9-10H2,1-4H3 |
| InChIKey | DCSCTYLIETURBD-UHFFFAOYSA-N |
| Molecular Weight | 242.366 g/mol |
| SMILES | C1(N2C(CCCC2(C)C)(C)C)=CC(C#N)=CC=C1 |