| SpectraBase Compound ID | lqsa944943 |
|---|---|
| InChI | InChI=1S/C12H21Cl2NO2/c1-2-15(11(16)7-3-5-9-13)12(17)8-4-6-10-14/h2-10H2,1H3 |
| InChIKey | FDICVUWDKJOUOM-UHFFFAOYSA-N |
| Mol Weight | 282.21 g/mol |
| Molecular Formula | C12H21Cl2NO2 |
| Exact Mass | 281.094934 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 20HRtsMhKjG |
|---|---|
| Name | Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-ethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.094934318 u |
| Formula | C12H21Cl2NO2 |
| InChI | InChI=1S/C12H21Cl2NO2/c1-2-15(11(16)7-3-5-9-13)12(17)8-4-6-10-14/h2-10H2,1H3 |
| InChIKey | FDICVUWDKJOUOM-UHFFFAOYSA-N |
| SMILES | C(N(CC)C(=O)CCCCCl)(=O)CCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948403 |