| SpectraBase Compound ID | BsACgU2AOC9 |
|---|---|
| InChI | InChI=1S/C6H3ClF2/c7-5-2-1-4(8)3-6(5)9/h1-3H |
| InChIKey | AJCSNHQKXUSMMY-UHFFFAOYSA-N |
| Mol Weight | 148.54 g/mol |
| Molecular Formula | C6H3ClF2 |
| Exact Mass | 147.989134 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CBrauTs7ra0 |
|---|---|
| Name | 1-Chloro-2,4-difluoro-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 147.989134123 u |
| Formula | C6H3ClF2 |
| InChI | InChI=1S/C6H3ClF2/c7-5-2-1-4(8)3-6(5)9/h1-3H |
| InChIKey | AJCSNHQKXUSMMY-UHFFFAOYSA-N |
| Molecular Weight | 148.540 g/mol |
| SMILES | C1(Cl)=C(F)C=C(F)C=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.916945 |