| SpectraBase Compound ID | KLBFD6S28pl |
|---|---|
| InChI | InChI=1S/C15H9BrClNOS/c16-9-4-3-5-10(8-9)18-15(19)14-13(17)11-6-1-2-7-12(11)20-14/h1-8H,(H,18,19) |
| InChIKey | CWRXJPOFTHKVNW-UHFFFAOYSA-N |
| Mol Weight | 366.66 g/mol |
| Molecular Formula | C15H9BrClNOS |
| Exact Mass | 364.927676 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HdemxVQeojn |
|---|---|
| Name | Benzo[B]thiophene-2-carboxamide, 3-chloro-N-(3-bromophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.927675787 u |
| Formula | C15H9BrClNOS |
| InChI | InChI=1S/C15H9BrClNOS/c16-9-4-3-5-10(8-9)18-15(19)14-13(17)11-6-1-2-7-12(11)20-14/h1-8H,(H,18,19) |
| InChIKey | CWRXJPOFTHKVNW-UHFFFAOYSA-N |
| Molecular Weight | 366.660 g/mol |
| SMILES | C12=C(C=CC=C2)SC(=C1Cl)C(NC1=CC(=CC=C1)Br)=O |