| SpectraBase Compound ID | E1W2hHQzmhq |
|---|---|
| InChI | InChI=1S/C5H7N/c1-5(2)3-4-6/h1,3H2,2H3 |
| InChIKey | OIQDAVBXDLGCID-UHFFFAOYSA-N |
| Mol Weight | 81.12 g/mol |
| Molecular Formula | C5H7N |
| Exact Mass | 81.057849 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | L7GVJjdL7gk |
|---|---|
| Name | 3-Methylbut-3-enenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 81.057849229 u |
| Formula | C5H7N |
| InChI | InChI=1S/C5H7N/c1-5(2)3-4-6/h1,3H2,2H3 |
| InChIKey | OIQDAVBXDLGCID-UHFFFAOYSA-N |
| Molecular Weight | 81.118 g/mol |
| SMILES | C(#N)CC(=C)C |
| Spectrum/Structure Validation Score (Raman) | 0.957641 |