| SpectraBase Compound ID | LwuIgZFsWup |
|---|---|
| InChI | InChI=1S/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3/b4-3+ |
| InChIKey | ISBHMJZRKAFTGE-ONEGZZNKSA-N |
| Mol Weight | 81.12 g/mol |
| Molecular Formula | C5H7N |
| Exact Mass | 81.057849 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E1Uwi6WDmof |
|---|---|
| Name | (E)-2-Pentenenitrile |
| 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/c1-2-3-4-5-6/h3-4H,2H2,1H3/b4-3+ |
| InChIKey | ISBHMJZRKAFTGE-ONEGZZNKSA-N |
| Molecular Weight | 81.118 g/mol |
| SMILES | CC\C=C\C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929375 |