![2-[(2,4,5-Trichlorophenyl)thio]thiazole](/api/spectrum/94Tuh8syxaZ/structure.png?h=300&w=458 "2-[(2,4,5-Trichlorophenyl)thio]thiazole")
| SpectraBase Compound ID | JMqhKQPvxbf |
|---|---|
| InChI | InChI=1S/C9H4Cl3NS2/c10-5-3-7(12)8(4-6(5)11)15-9-13-1-2-14-9/h1-4H |
| InChIKey | BPVNBGNOAFNCLP-UHFFFAOYSA-N |
| Mol Weight | 296.62 g/mol |
| Molecular Formula | C9H4Cl3NS2 |
| Exact Mass | 294.885075 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 94Tuh8syxaZ |
|---|---|
| Name | 2-[(2,4,5-Trichlorophenyl)thio]thiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.885074581 u |
| Formula | C9H4Cl3NS2 |
| InChI | InChI=1S/C9H4Cl3NS2/c10-5-3-7(12)8(4-6(5)11)15-9-13-1-2-14-9/h1-4H |
| InChIKey | BPVNBGNOAFNCLP-UHFFFAOYSA-N |
| Molecular Weight | 296.617 g/mol |
| SMILES | C=1(SC2=NC=CS2)C(=CC(=C(C1)Cl)Cl)Cl |