| SpectraBase Compound ID | GYHTIzRIu5z |
|---|---|
| InChI | InChI=1S/C6H11NO2/c1-2-9-5-6(8)3-4-7/h6,8H,2-3,5H2,1H3 |
| InChIKey | XABXEUYXXMHEEF-UHFFFAOYSA-N |
| Mol Weight | 129.16 g/mol |
| Molecular Formula | C6H11NO2 |
| Exact Mass | 129.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DLYBrcHQ3Uv |
|---|---|
| Name | Butyronitrile, 4-ethoxy-3-hydroxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 129.078978596 u |
| Formula | C6H11NO2 |
| InChI | InChI=1S/C6H11NO2/c1-2-9-5-6(8)3-4-7/h6,8H,2-3,5H2,1H3 |
| InChIKey | XABXEUYXXMHEEF-UHFFFAOYSA-N |
| SMILES | C(C(CC#N)O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958839 |