| SpectraBase Compound ID | AkuS6UD5AOX |
|---|---|
| InChI | InChI=1S/C6H9Cl2NO2/c7-5(8)6(10)9-1-3-11-4-2-9/h5H,1-4H2 |
| InChIKey | SPDHGKQMFGYCHN-UHFFFAOYSA-N |
| Mol Weight | 198.05 g/mol |
| Molecular Formula | C6H9Cl2NO2 |
| Exact Mass | 197.001034 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | UX9xSloXOu |
|---|---|
| Name | Dichloroacetic acid, morpholide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.001033932 u |
| Formula | C6H9Cl2NO2 |
| InChI | InChI=1S/C6H9Cl2NO2/c7-5(8)6(10)9-1-3-11-4-2-9/h5H,1-4H2 |
| InChIKey | SPDHGKQMFGYCHN-UHFFFAOYSA-N |
| Molecular Weight | 198.049 g/mol |
| SMILES | C(C(=O)N1CCOCC1)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957271 |