| SpectraBase Compound ID | C24nRp9mLDu |
|---|---|
| InChI | InChI=1S/C7H2ClF5/c8-6-4(9)1-3(2-5(6)10)7(11,12)13/h1-2H |
| InChIKey | DBXGGVURUQFFGT-UHFFFAOYSA-N |
| Mol Weight | 216.54 g/mol |
| Molecular Formula | C7H2ClF5 |
| Exact Mass | 215.976519 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9POakU2428B |
|---|---|
| Name | 2-Chloro-1,3-difluoro-5-(trifluoromethyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.976518579 u |
| Formula | C7H2ClF5 |
| InChI | InChI=1S/C7H2ClF5/c8-6-4(9)1-3(2-5(6)10)7(11,12)13/h1-2H |
| InChIKey | DBXGGVURUQFFGT-UHFFFAOYSA-N |
| Molecular Weight | 216.538 g/mol |
| SMILES | C1(=C(C(=CC(=C1)C(F)(F)F)F)Cl)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965076 |