| SpectraBase Compound ID | IRphQKdJzjx |
|---|---|
| InChI | InChI=1S/C11H22ClNO/c1-3-5-6-7-8-9-13-11(14)10(12)4-2/h10H,3-9H2,1-2H3,(H,13,14) |
| InChIKey | XTKGWLDGKGOWQO-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 | 3i5E3WUwh9t |
|---|---|
| Name | Butyramide, 2-chloro-N-heptyl- |
| 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/c1-3-5-6-7-8-9-13-11(14)10(12)4-2/h10H,3-9H2,1-2H3,(H,13,14) |
| InChIKey | XTKGWLDGKGOWQO-UHFFFAOYSA-N |
| Molecular Weight | 219.756 g/mol |
| SMILES | C(=O)(NCCCCCCC)C(CC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981954 |