| SpectraBase Compound ID | FHgGDX8mJ9t |
|---|---|
| InChI | InChI=1S/C7H5F2NO2/c8-7(9)5-1-3-6(4-2-5)10(11)12/h1-4,7H |
| InChIKey | RMHPWPAKPAVHTB-UHFFFAOYSA-N |
| Mol Weight | 173.12 g/mol |
| Molecular Formula | C7H5F2NO2 |
| Exact Mass | 173.028835 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KI1czSzDOMJ |
|---|---|
| Name | 1-(Difluoromethyl)-4-nitrobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.028834729 u |
| Formula | C7H5F2NO2 |
| InChI | InChI=1S/C7H5F2NO2/c8-7(9)5-1-3-6(4-2-5)10(11)12/h1-4,7H |
| InChIKey | RMHPWPAKPAVHTB-UHFFFAOYSA-N |
| Molecular Weight | 173.119 g/mol |
| SMILES | C=1(N(=O)=O)C=CC(=CC1)C(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950125 |