| SpectraBase Compound ID | F77QB21YVGr |
|---|---|
| InChI | InChI=1S/C7H5ClF2S/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H |
| InChIKey | QTCXRGOEMOHKSK-UHFFFAOYSA-N |
| Mol Weight | 194.63 g/mol |
| Molecular Formula | C7H5ClF2S |
| Exact Mass | 193.976855 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1bWE66Ox6KT |
|---|---|
| Name | p-Chlorophenyl difluoromethyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.976855361 u |
| Formula | C7H5ClF2S |
| InChI | InChI=1S/C7H5ClF2S/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H |
| InChIKey | QTCXRGOEMOHKSK-UHFFFAOYSA-N |
| Molecular Weight | 194.627 g/mol |
| SMILES | C=1C=C(Cl)C=CC1SC(F)F |
| Spectrum/Structure Validation Score (Raman) | 0.968096 |