| SpectraBase Compound ID | 51JrS6FkuGH |
|---|---|
| InChI | InChI=1S/C14H23Cl2NO2/c1-12(2)11-17(13(18)7-3-5-9-15)14(19)8-4-6-10-16/h1,3-11H2,2H3 |
| InChIKey | UPMQMJCYEKWMDK-UHFFFAOYSA-N |
| Mol Weight | 308.25 g/mol |
| Molecular Formula | C14H23Cl2NO2 |
| Exact Mass | 307.110584 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6d2w9ULUbaS |
|---|---|
| Name | 5-Chlorovaleramide, N-(5-chlorovaleryl)-N-methallyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.110584383 u |
| Formula | C14H23Cl2NO2 |
| InChI | InChI=1S/C14H23Cl2NO2/c1-12(2)11-17(13(18)7-3-5-9-15)14(19)8-4-6-10-16/h1,3-11H2,2H3 |
| InChIKey | UPMQMJCYEKWMDK-UHFFFAOYSA-N |
| SMILES | C(CCCl)CC(=O)N(CC(C)=C)C(=O)CCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.86248 |