| SpectraBase Compound ID | FQNV1HQHAkh |
|---|---|
| InChI | InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2 |
| InChIKey | CGFGIKNLZTZJDE-UHFFFAOYSA-N |
| Mol Weight | 83.09 g/mol |
| Molecular Formula | C4H5NO |
| Exact Mass | 83.037114 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9ER9fERoCUh |
|---|---|
| Name | Butanenitrile, 4-oxo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 83.037113784 u |
| Formula | C4H5NO |
| InChI | InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2 |
| InChIKey | CGFGIKNLZTZJDE-UHFFFAOYSA-N |
| Molecular Weight | 83.090 g/mol |
| SMILES | C(=O)CCC#N |
| Spectrum/Structure Validation Score (Raman) | 0.811189 |