| SpectraBase Compound ID | 5rCeaCKdHdh |
|---|---|
| InChI | InChI=1S/C6H11N/c1-6(2)4-3-5-7/h6H,3-4H2,1-2H3 |
| InChIKey | DUJMVKJJUANUMQ-UHFFFAOYSA-N |
| Mol Weight | 97.16 g/mol |
| Molecular Formula | C6H11N |
| Exact Mass | 97.089149 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6Bx13XYRDcc |
|---|---|
| Name | 4-Methylvaleronitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 97.089149358 u |
| Formula | C6H11N |
| InChI | InChI=1S/C6H11N/c1-6(2)4-3-5-7/h6H,3-4H2,1-2H3 |
| InChIKey | DUJMVKJJUANUMQ-UHFFFAOYSA-N |
| Molecular Weight | 97.161 g/mol |
| SMILES | CC(CCC#N)C |
| Spectrum/Structure Validation Score (Raman) | 0.986122 |