| SpectraBase Compound ID | EffeIMQxisc |
|---|---|
| InChI | InChI=1S/C11H22ClNO/c1-3-4-5-7-10(2)13-11(14)8-6-9-12/h10H,3-9H2,1-2H3,(H,13,14) |
| InChIKey | CCUBQLRQLUMPJO-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 | 9ATlLwT3Lt2 |
|---|---|
| Name | Butyramide, 4-chloro-N-hept-2-yl- |
| 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/c1-3-4-5-7-10(2)13-11(14)8-6-9-12/h10H,3-9H2,1-2H3,(H,13,14) |
| InChIKey | CCUBQLRQLUMPJO-UHFFFAOYSA-N |
| Molecular Weight | 219.756 g/mol |
| SMILES | C(CCCCl)(NC(CCCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981308 |