| SpectraBase Compound ID | KTkldCkX3dg |
|---|---|
| InChI | InChI=1S/C8H4F4O/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-4H |
| InChIKey | UZZYXZWSOWQPIS-UHFFFAOYSA-N |
| Mol Weight | 192.11 g/mol |
| Molecular Formula | C8H4F4O |
| Exact Mass | 192.019827 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | ARkClcFqIPZ |
|---|---|
| Name | 3-Fluoro-5-(trifluoromethyl)benzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.019827400 u |
| Formula | C8H4F4O |
| InChI | InChI=1S/C8H4F4O/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-4H |
| InChIKey | UZZYXZWSOWQPIS-UHFFFAOYSA-N |
| Molecular Weight | 192.113 g/mol |
| SMILES | C(F)(F)(F)C1=CC(=CC(=C1)F)C=O |
| Spectrum/Structure Validation Score (Raman) | 0.974049 |