| SpectraBase Compound ID | LDoRF9IE6zY |
|---|---|
| InChI | InChI=1S/C13H16N2/c14-11-13(12-7-3-1-4-8-12)15-9-5-2-6-10-15/h1,3-4,7-8,13H,2,5-6,9-10H2 |
| InChIKey | IXQJQHORYHYKBD-UHFFFAOYSA-N |
| Mol Weight | 200.28 g/mol |
| Molecular Formula | C13H16N2 |
| Exact Mass | 200.131349 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HTnTteqDtEA |
|---|---|
| Name | alpha-Phenyl-1-piperidineacetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.131348523 u |
| Formula | C13H16N2 |
| InChI | InChI=1S/C13H16N2/c14-11-13(12-7-3-1-4-8-12)15-9-5-2-6-10-15/h1,3-4,7-8,13H,2,5-6,9-10H2 |
| InChIKey | IXQJQHORYHYKBD-UHFFFAOYSA-N |
| Molecular Weight | 200.285 g/mol |
| SMILES | C=1C(=CC=CC1)C(N1CCCCC1)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.984868 |