| SpectraBase Compound ID | IaVPL0fPYz7 |
|---|---|
| InChI | InChI=1S/C7H2Cl6S/c8-1-14-7-5(12)3(10)2(9)4(11)6(7)13/h1H2 |
| InChIKey | SEBXHYNSUTYHGW-UHFFFAOYSA-N |
| Mol Weight | 330.9 g/mol |
| Molecular Formula | C7H2Cl6S |
| Exact Mass | 327.800837 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | zUcNEtJQVB |
|---|---|
| Name | Chloromethyl pentachlorophenyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.800837438 u |
| Formula | C7H2Cl6S |
| InChI | InChI=1S/C7H2Cl6S/c8-1-14-7-5(12)3(10)2(9)4(11)6(7)13/h1H2 |
| InChIKey | SEBXHYNSUTYHGW-UHFFFAOYSA-N |
| Molecular Weight | 330.871 g/mol |
| SMILES | C=1(C(=C(C(=C(C1Cl)Cl)Cl)Cl)SCCl)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.88487 |