| SpectraBase Compound ID | IvM3zooRtOI |
|---|---|
| InChI | InChI=1S/C6H3ClFI/c7-5-3-4(8)1-2-6(5)9/h1-3H |
| InChIKey | POTCKVPDYXEGSV-UHFFFAOYSA-N |
| Mol Weight | 256.45 g/mol |
| Molecular Formula | C6H3ClFI |
| Exact Mass | 255.895201 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 832La6ublcJ |
|---|---|
| Name | 2-Chloro-4-fluoro-1-iodobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.895200960 u |
| Formula | C6H3ClFI |
| InChI | InChI=1S/C6H3ClFI/c7-5-3-4(8)1-2-6(5)9/h1-3H |
| InChIKey | POTCKVPDYXEGSV-UHFFFAOYSA-N |
| Molecular Weight | 256.446 g/mol |
| SMILES | C=1C(=C(C=C(C1)F)Cl)I |
| Spectrum/Structure Validation Score (Raman) | 0.934823 |