| SpectraBase Compound ID | 9o7tBKW9HLb |
|---|---|
| InChI | InChI=1S/C7H10N2/c1-9-5-3-2-4-7(9)6-8/h2,4,7H,3,5H2,1H3 |
| InChIKey | XPGCXCNNIYNUMX-UHFFFAOYSA-N |
| Mol Weight | 122.17 g/mol |
| Molecular Formula | C7H10N2 |
| Exact Mass | 122.084398 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fl8AUxgfNq8 |
|---|---|
| Name | 1-Methyl-2-cyano-3-piperideine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 122.084398330 u |
| Formula | C7H10N2 |
| InChI | InChI=1S/C7H10N2/c1-9-5-3-2-4-7(9)6-8/h2,4,7H,3,5H2,1H3 |
| InChIKey | XPGCXCNNIYNUMX-UHFFFAOYSA-N |
| Molecular Weight | 122.171 g/mol |
| SMILES | C1(N(CCC=C1)C)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.865635 |