| SpectraBase Compound ID | LXvfWnYMEaa |
|---|---|
| InChI | InChI=1S/C9H16N2/c1-9(2,8-10)11-6-4-3-5-7-11/h3-7H2,1-2H3 |
| InChIKey | IGSJLBUPRRXRDY-UHFFFAOYSA-N |
| Mol Weight | 152.24 g/mol |
| Molecular Formula | C9H16N2 |
| Exact Mass | 152.131349 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Xzx38uZ96 |
|---|---|
| Name | alpha,alpha-Dimethyl-1-piperidineacetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.131348523 u |
| Formula | C9H16N2 |
| InChI | InChI=1S/C9H16N2/c1-9(2,8-10)11-6-4-3-5-7-11/h3-7H2,1-2H3 |
| InChIKey | IGSJLBUPRRXRDY-UHFFFAOYSA-N |
| Molecular Weight | 152.241 g/mol |
| SMILES | C1N(CCCC1)C(C#N)(C)C |