| SpectraBase Compound ID | K566jAq3riH |
|---|---|
| InChI | InChI=1S/C10H18N2/c1-2-10-6-3-4-8-12(10)9-5-7-11/h10H,2-6,8-9H2,1H3 |
| InChIKey | XHQLAKPJRAWDES-UHFFFAOYSA-N |
| Mol Weight | 166.27 g/mol |
| Molecular Formula | C10H18N2 |
| Exact Mass | 166.146999 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KLRLOp9egHB |
|---|---|
| Name | 3-(2-Ethylpiperidin-1-yl)propionitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.146998588 u |
| Formula | C10H18N2 |
| InChI | InChI=1S/C10H18N2/c1-2-10-6-3-4-8-12(10)9-5-7-11/h10H,2-6,8-9H2,1H3 |
| InChIKey | XHQLAKPJRAWDES-UHFFFAOYSA-N |
| Molecular Weight | 166.268 g/mol |
| SMILES | C1CN(C(CC1)CC)CCC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963269 |