| SpectraBase Compound ID | IoLOwlMXHx9 |
|---|---|
| InChI | InChI=1S/C8H2Cl2F3N/c9-6-2-1-5(8(11,12)13)7(10)4(6)3-14/h1-2H |
| InChIKey | CDDJFCKGLFFRDK-UHFFFAOYSA-N |
| Mol Weight | 240.01 g/mol |
| Molecular Formula | C8H2Cl2F3N |
| Exact Mass | 238.951639 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 83CehWGYX6C |
|---|---|
| Name | 2,6-Dichloro-3-(trifluoromethyl)benzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.951638957 u |
| Formula | C8H2Cl2F3N |
| InChI | InChI=1S/C8H2Cl2F3N/c9-6-2-1-5(8(11,12)13)7(10)4(6)3-14/h1-2H |
| InChIKey | CDDJFCKGLFFRDK-UHFFFAOYSA-N |
| Molecular Weight | 240.012 g/mol |
| SMILES | C(F)(F)(F)C1=C(C(=C(C=C1)Cl)C#N)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936857 |