| SpectraBase Compound ID | DK69ryFiIcB |
|---|---|
| InChI | InChI=1S/C11H22N2/c1-2-3-4-5-6-7-10-13-11-8-9-12/h13H,2-8,10-11H2,1H3 |
| InChIKey | AFXXFNVAHYRPIZ-UHFFFAOYSA-N |
| Mol Weight | 182.31 g/mol |
| Molecular Formula | C11H22N2 |
| Exact Mass | 182.178299 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 48w98BKk7UD |
|---|---|
| Name | Propanenitrile, 3-(octylamino)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.178298716 u |
| Formula | C11H22N2 |
| InChI | InChI=1S/C11H22N2/c1-2-3-4-5-6-7-10-13-11-8-9-12/h13H,2-8,10-11H2,1H3 |
| InChIKey | AFXXFNVAHYRPIZ-UHFFFAOYSA-N |
| Molecular Weight | 182.311 g/mol |
| SMILES | CCCCCCCCNCCC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93234 |