| SpectraBase Compound ID | D9OGosvWQvC |
|---|---|
| InChI | InChI=1S/C15H21N3/c1-13-6-4-5-7-14(13)17-8-10-18(11-9-17)15(2,3)12-16/h4-7H,8-11H2,1-3H3 |
| InChIKey | BDDXAVLWFLRPDQ-UHFFFAOYSA-N |
| Mol Weight | 243.35 g/mol |
| Molecular Formula | C15H21N3 |
| Exact Mass | 243.173548 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 61wMVMfadwM |
|---|---|
| Name | alpha,alpha-Dimethyl-4-o-tolyl-1-piperazineacetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.173547688 u |
| Formula | C15H21N3 |
| InChI | InChI=1S/C15H21N3/c1-13-6-4-5-7-14(13)17-8-10-18(11-9-17)15(2,3)12-16/h4-7H,8-11H2,1-3H3 |
| InChIKey | BDDXAVLWFLRPDQ-UHFFFAOYSA-N |
| Molecular Weight | 243.354 g/mol |
| SMILES | C1(C)=CC=CC=C1N1CCN(CC1)C(C#N)(C)C |