| SpectraBase Compound ID | Id7kae8S1si |
|---|---|
| InChI | InChI=1S/C11H22ClNO/c1-2-3-4-7-10-13-11(14)8-5-6-9-12/h2-10H2,1H3,(H,13,14) |
| InChIKey | BAELMQSEJPMTLE-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 | I9SCUKdVyen |
|---|---|
| Name | Valeramide, 5-chloro-N-hexyl- |
| 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/c1-2-3-4-7-10-13-11(14)8-5-6-9-12/h2-10H2,1H3,(H,13,14) |
| InChIKey | BAELMQSEJPMTLE-UHFFFAOYSA-N |
| Molecular Weight | 219.756 g/mol |
| SMILES | C(NCCCCCC)(=O)CCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947975 |