| SpectraBase Compound ID | KYX6QVDN4MG |
|---|---|
| InChI | InChI=1S/C11H22ClNO/c1-3-5-9-13(10-6-4-2)11(14)7-8-12/h3-10H2,1-2H3 |
| InChIKey | ALAPRJIGPQQKKY-UHFFFAOYSA-N |
| Mol Weight | 219.76 g/mol |
| Molecular Formula | C11H22ClNO |
| Exact Mass | 219.138992 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2HQ0lix0xlZ |
|---|---|
| Name | Propanamide, N,N-dibutyl-3-chloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.138992031 u |
| Formula | C11H22ClNO |
| InChI | InChI=1S/C11H22ClNO/c1-3-5-9-13(10-6-4-2)11(14)7-8-12/h3-10H2,1-2H3 |
| InChIKey | ALAPRJIGPQQKKY-UHFFFAOYSA-N |
| Molecular Weight | 219.756 g/mol |
| SMILES | CCCCN(C(CCCl)=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.894313 |