| SpectraBase Compound ID | AM1q9RzzLoQ |
|---|---|
| InChI | InChI=1S/C9H6Cl3NO/c10-7-3-1-6(2-4-7)9(14)13-5-8(11)12/h1-5H,(H,13,14) |
| InChIKey | ITZFQOUCEBIXPQ-UHFFFAOYSA-N |
| Mol Weight | 250.51 g/mol |
| Molecular Formula | C9H6Cl3NO |
| Exact Mass | 248.951497 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9eRecbat5y1 |
|---|---|
| Name | 4-Chloro-N-(2,2-dichloroethenyl)benzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.951496916 u |
| Formula | C9H6Cl3NO |
| InChI | InChI=1S/C9H6Cl3NO/c10-7-3-1-6(2-4-7)9(14)13-5-8(11)12/h1-5H,(H,13,14) |
| InChIKey | ITZFQOUCEBIXPQ-UHFFFAOYSA-N |
| Molecular Weight | 250.512 g/mol |
| SMILES | C(C=1C=CC(=CC1)Cl)(=O)NC=C(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936989 |