| SpectraBase Compound ID | KWpZfv307wo |
|---|---|
| InChI | InChI=1S/C7H14ClNO/c1-2-3-6-9-7(10)4-5-8/h2-6H2,1H3,(H,9,10) |
| InChIKey | PEITUJQSBGXXCZ-UHFFFAOYSA-N |
| Mol Weight | 163.65 g/mol |
| Molecular Formula | C7H14ClNO |
| Exact Mass | 163.076392 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JBZEksdx35I |
|---|---|
| Name | Propionamide, 3-chloro-N-butyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.076391774 u |
| Formula | C7H14ClNO |
| InChI | InChI=1S/C7H14ClNO/c1-2-3-6-9-7(10)4-5-8/h2-6H2,1H3,(H,9,10) |
| InChIKey | PEITUJQSBGXXCZ-UHFFFAOYSA-N |
| Molecular Weight | 163.648 g/mol |
| SMILES | C(CCCl)(NCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974487 |