| SpectraBase Compound ID | GiK5TRFFtpE |
|---|---|
| InChI | InChI=1S/C6H3ClFNO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H |
| InChIKey | PTCPUGKKWNMITF-UHFFFAOYSA-N |
| Mol Weight | 175.55 g/mol |
| Molecular Formula | C6H3ClFNO2 |
| Exact Mass | 174.983634 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KI9k7rON0S6 |
|---|---|
| Name | 4-Chloro-2-fluoro-1-nitrobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.983634202 u |
| Formula | C6H3ClFNO2 |
| InChI | InChI=1S/C6H3ClFNO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H |
| InChIKey | PTCPUGKKWNMITF-UHFFFAOYSA-N |
| Molecular Weight | 175.546 g/mol |
| SMILES | N(=O)(=O)C=1C(=CC(=CC1)Cl)F |
| Spectrum/Structure Validation Score (Raman) | 0.954139 |