| SpectraBase Compound ID | HmzTcS6XZfF |
|---|---|
| InChI | InChI=1S/C5H7N/c1-5(2)3-4-6/h3H,1-2H3 |
| InChIKey | AUGKLUNRHYPDAM-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 | Ev5m1UocLaB |
|---|---|
| Name | 3-Methyl-2-butennitrile |
| 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/h3H,1-2H3 |
| InChIKey | AUGKLUNRHYPDAM-UHFFFAOYSA-N |
| Molecular Weight | 81.118 g/mol |
| SMILES | C(#N)C=C(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.701617 |