| SpectraBase Compound ID | ARPRYsFmqTT |
|---|---|
| InChI | InChI=1S/C13H17N3/c1-12(11-14)15-7-9-16(10-8-15)13-5-3-2-4-6-13/h2-6,12H,7-10H2,1H3 |
| InChIKey | PVCSUZKSLCHICC-UHFFFAOYSA-N |
| Mol Weight | 215.3 g/mol |
| Molecular Formula | C13H17N3 |
| Exact Mass | 215.142248 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G77CaVd8vHH |
|---|---|
| Name | alpha-Methyl-4-phenyl-1-piperazineacetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.142247559 u |
| Formula | C13H17N3 |
| InChI | InChI=1S/C13H17N3/c1-12(11-14)15-7-9-16(10-8-15)13-5-3-2-4-6-13/h2-6,12H,7-10H2,1H3 |
| InChIKey | PVCSUZKSLCHICC-UHFFFAOYSA-N |
| Molecular Weight | 215.300 g/mol |
| SMILES | C=1C(=CC=CC1)N1CCN(CC1)C(C#N)C |