| SpectraBase Compound ID | 7I3WBoK4t9h |
|---|---|
| InChI | InChI=1S/C7HF4N/c8-4-1-5(9)7(11)3(2-12)6(4)10/h1H |
| InChIKey | IOQMWOBRUDNEOA-UHFFFAOYSA-N |
| Mol Weight | 175.09 g/mol |
| Molecular Formula | C7HF4N |
| Exact Mass | 175.004512 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8Yb148D0kLu |
|---|---|
| Name | 2,3,5,6-Tetrafluorobenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.004511688 u |
| Formula | C7HF4N |
| InChI | InChI=1S/C7HF4N/c8-4-1-5(9)7(11)3(2-12)6(4)10/h1H |
| InChIKey | IOQMWOBRUDNEOA-UHFFFAOYSA-N |
| Molecular Weight | 175.086 g/mol |
| SMILES | C1(F)=C(C#N)C(=C(C=C1F)F)F |
| Spectrum/Structure Validation Score (Raman) | 0.977932 |