| SpectraBase Compound ID | CTMm32MkYqe |
|---|---|
| InChI | InChI=1S/C13H8BrCl3N2S/c14-7-3-1-2-4-11(7)18-13(20)19-12-6-9(16)8(15)5-10(12)17/h1-6H,(H2,18,19,20) |
| InChIKey | IVKXMINYURIECD-UHFFFAOYSA-N |
| Mol Weight | 410.54 g/mol |
| Molecular Formula | C13H8BrCl3N2S |
| Exact Mass | 407.865716 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8k5G80foJiH |
|---|---|
| Name | 2'-Bromothio-2,4,5-trichlorocarbanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 407.865715540 u |
| Formula | C13H8BrCl3N2S |
| InChI | InChI=1S/C13H8BrCl3N2S/c14-7-3-1-2-4-11(7)18-13(20)19-12-6-9(16)8(15)5-10(12)17/h1-6H,(H2,18,19,20) |
| InChIKey | IVKXMINYURIECD-UHFFFAOYSA-N |
| Molecular Weight | 410.544 g/mol |
| SMILES | N(C1=C(C=CC=C1)Br)C(NC=1C(=CC(=C(C1)Cl)Cl)Cl)=S |