| SpectraBase Compound ID | AcGKhBIvYzD |
|---|---|
| InChI | InChI=1S/C4H5NO/c1-6-4-2-3-5/h2,4H,1H3/b4-2+ |
| InChIKey | IPCRTSDORDQHRO-DUXPYHPUSA-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 | IZ8ylu9pP9o |
|---|---|
| Name | 3-Methoxyacrylonitrile |
| 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/c1-6-4-2-3-5/h2,4H,1H3/b4-2+ |
| InChIKey | IPCRTSDORDQHRO-DUXPYHPUSA-N |
| Molecular Weight | 83.090 g/mol |
| SMILES | CO\C=C\C#N |
| Spectrum/Structure Validation Score (Raman) | 0.938658 |