| SpectraBase Compound ID | 1YMllVQ7qy7 |
|---|---|
| InChI | InChI=1S/C5H8IN/c1-5(6)3-2-4-7/h5H,2-3H2,1H3 |
| InChIKey | IGLUSIIFSRASMQ-UHFFFAOYSA-N |
| Mol Weight | 209.03 g/mol |
| Molecular Formula | C5H8IN |
| Exact Mass | 208.970144 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6AI85XVN7vG |
|---|---|
| Name | 4-Iodovaleronitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.970144262 u |
| Formula | C5H8IN |
| InChI | InChI=1S/C5H8IN/c1-5(6)3-2-4-7/h5H,2-3H2,1H3 |
| InChIKey | IGLUSIIFSRASMQ-UHFFFAOYSA-N |
| Molecular Weight | 209.030 g/mol |
| SMILES | C(CCC(C)I)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.827285 |