| SpectraBase Compound ID | KIUS7iG9N3j |
|---|---|
| InChI | InChI=1S/C7H5ClF2O2S/c8-5-1-3-6(4-2-5)13(11,12)7(9)10/h1-4,7H |
| InChIKey | UWBPIDCZHSOMGG-UHFFFAOYSA-N |
| Mol Weight | 226.62 g/mol |
| Molecular Formula | C7H5ClF2O2S |
| Exact Mass | 225.966685 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | I8ZOuyHnjmr |
|---|---|
| Name | p-Chlorophenyl difluoromethyl sulfone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.966684599 u |
| Formula | C7H5ClF2O2S |
| InChI | InChI=1S/C7H5ClF2O2S/c8-5-1-3-6(4-2-5)13(11,12)7(9)10/h1-4,7H |
| InChIKey | UWBPIDCZHSOMGG-UHFFFAOYSA-N |
| Molecular Weight | 226.625 g/mol |
| SMILES | C=1C(=CC=C(C1)Cl)S(=O)(=O)C(F)F |
| Spectrum/Structure Validation Score (Raman) | 0.703917 |