| SpectraBase Compound ID | IzBy24IIUTi |
|---|---|
| InChI | InChI=1S/C13H22N2O/c14-10-8-12-15-11-7-5-3-1-2-4-6-9-13(15)16/h1-9,11-12H2 |
| InChIKey | PUHIKEGLORTEQN-UHFFFAOYSA-N |
| Mol Weight | 222.33 g/mol |
| Molecular Formula | C13H22N2O |
| Exact Mass | 222.173213 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CsjHO1dS06H |
|---|---|
| Name | Azacycloundecane-1-propanenitrile, 2-oxo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.173213335 u |
| Formula | C13H22N2O |
| InChI | InChI=1S/C13H22N2O/c14-10-8-12-15-11-7-5-3-1-2-4-6-9-13(15)16/h1-9,11-12H2 |
| InChIKey | PUHIKEGLORTEQN-UHFFFAOYSA-N |
| Molecular Weight | 222.332 g/mol |
| SMILES | C1(N(CCCCCCCCC1)CCC#N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.804441 |