| SpectraBase Compound ID | 41CsoaOjBVI |
|---|---|
| InChI | InChI=1S/C6H12ClNO/c1-2-5-8-6(9)3-4-7/h2-5H2,1H3,(H,8,9) |
| InChIKey | BRFGDSCGJJURFB-UHFFFAOYSA-N |
| Mol Weight | 149.62 g/mol |
| Molecular Formula | C6H12ClNO |
| Exact Mass | 149.060742 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LQbpeBkIzDK |
|---|---|
| Name | Propionamide, 3-chloro-N-propyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 149.060741709 u |
| Formula | C6H12ClNO |
| InChI | InChI=1S/C6H12ClNO/c1-2-5-8-6(9)3-4-7/h2-5H2,1H3,(H,8,9) |
| InChIKey | BRFGDSCGJJURFB-UHFFFAOYSA-N |
| Molecular Weight | 149.621 g/mol |
| SMILES | C(CCCl)(NCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963385 |