| SpectraBase Compound ID | 9Mslf22ksgR |
|---|---|
| InChI | InChI=1S/C7H2Cl4OS/c8-3-1-4(9)6(5(10)2-3)12-7(11)13/h1-2H |
| InChIKey | KCUPMEKDPZGHOL-UHFFFAOYSA-N |
| Mol Weight | 276.0 g/mol |
| Molecular Formula | C7H2Cl4OS |
| Exact Mass | 273.858047 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KT9V0Gj4YZg |
|---|---|
| Name | 2,4,6-Trichlorophenyl chlorothionoformate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.858046657 u |
| Formula | C7H2Cl4OS |
| InChI | InChI=1S/C7H2Cl4OS/c8-3-1-4(9)6(5(10)2-3)12-7(11)13/h1-2H |
| InChIKey | KCUPMEKDPZGHOL-UHFFFAOYSA-N |
| SMILES | C(OC1=C(Cl)C=C(C=C1Cl)Cl)(Cl)=S |
| Spectrum/Structure Validation Score (Raman) | 0.943062 |