| SpectraBase Compound ID | 3cS4GH4Am8q |
|---|---|
| InChI | InChI=1S/C4HCl2F3N2O/c5-3(6)1(4(7,8)9)10-11-2(3)12/h(H,11,12) |
| InChIKey | BPPNRGPLYZIDHX-UHFFFAOYSA-N |
| Mol Weight | 220.97 g/mol |
| Molecular Formula | C4HCl2F3N2O |
| Exact Mass | 219.941803 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7lLlQ05h6fd |
|---|---|
| Name | 4,4-Dichloro-5-(trifluoromethyl)-5-pyrazolin-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.941802548 u |
| Formula | C4HCl2F3N2O |
| InChI | InChI=1S/C4HCl2F3N2O/c5-3(6)1(4(7,8)9)10-11-2(3)12/h(H,11,12) |
| InChIKey | BPPNRGPLYZIDHX-UHFFFAOYSA-N |
| Molecular Weight | 220.966 g/mol |
| SMILES | C1(=NNC(C1(Cl)Cl)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914656 |