| SpectraBase Compound ID | 36SvqtCElZW |
|---|---|
| InChI | InChI=1S/C6H8Cl3NO/c1-2-3-4-10-5(11)6(7,8)9/h2-3H,4H2,1H3,(H,10,11)/b3-2+ |
| InChIKey | WWYBCIFFMQXUJI-NSCUHMNNSA-N |
| Mol Weight | 216.49 g/mol |
| Molecular Formula | C6H8Cl3NO |
| Exact Mass | 214.967147 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ArioKjcWff5 |
|---|---|
| Name | N-but-2-Enyl-2,2,2-trichloroacetamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.967146981 u |
| Formula | C6H8Cl3NO |
| InChI | InChI=1S/C6H8Cl3NO/c1-2-3-4-10-5(11)6(7,8)9/h2-3H,4H2,1H3,(H,10,11)/b3-2+ |
| InChIKey | WWYBCIFFMQXUJI-NSCUHMNNSA-N |
| Molecular Weight | 216.495 g/mol |
| SMILES | C(C(Cl)(Cl)Cl)(=O)NC\C=C\C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878986 |