| SpectraBase Compound ID | 4gYBKfkbKtk |
|---|---|
| InChI | InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3 |
| InChIKey | JAMNHZBIQDNHMM-UHFFFAOYSA-N |
| Mol Weight | 83.13 g/mol |
| Molecular Formula | C5H9N |
| Exact Mass | 83.073499 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CqFTl7pbFya |
|---|---|
| Name | Pivalonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 83.073499294 u |
| Formula | C5H9N |
| InChI | InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3 |
| InChIKey | JAMNHZBIQDNHMM-UHFFFAOYSA-N |
| Molecular Weight | 83.134 g/mol |
| SMILES | CC(C)(C)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.873763 |