| SpectraBase Compound ID | 3eB4suM3VwE |
|---|---|
| InChI | InChI=1S/C12H24ClNO/c1-3-5-11-14(10-4-2)12(15)8-6-7-9-13/h3-11H2,1-2H3 |
| InChIKey | JQPRXFATJBTOIT-UHFFFAOYSA-N |
| Mol Weight | 233.78 g/mol |
| Molecular Formula | C12H24ClNO |
| Exact Mass | 233.154642 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2ZNezh3vOF9 |
|---|---|
| Name | Valeramide, 5-chloro-N-propyl-N-butyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.154642096 u |
| Formula | C12H24ClNO |
| InChI | InChI=1S/C12H24ClNO/c1-3-5-11-14(10-4-2)12(15)8-6-7-9-13/h3-11H2,1-2H3 |
| InChIKey | JQPRXFATJBTOIT-UHFFFAOYSA-N |
| Molecular Weight | 233.783 g/mol |
| SMILES | C(N(CCC)CCCC)(=O)CCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920897 |