| SpectraBase Compound ID | 9H8cqEclA3d |
|---|---|
| InChI | InChI=1S/C6H11NO/c1-2-5-8-6-3-4-7/h2-3,5-6H2,1H3 |
| InChIKey | RBCSSAWYWYRREH-UHFFFAOYSA-N |
| Mol Weight | 113.16 g/mol |
| Molecular Formula | C6H11NO |
| Exact Mass | 113.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DeJNOxc96WJ |
|---|---|
| Name | 3-Propoxypropanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 113.084063977 u |
| Formula | C6H11NO |
| InChI | InChI=1S/C6H11NO/c1-2-5-8-6-3-4-7/h2-3,5-6H2,1H3 |
| InChIKey | RBCSSAWYWYRREH-UHFFFAOYSA-N |
| Molecular Weight | 113.160 g/mol |
| SMILES | CCCOCCC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968844 |