| SpectraBase Compound ID | BBOcq4ZpJUi |
|---|---|
| InChI | InChI=1S/C14H7BrCl2N2OS/c15-8-1-2-11-12(5-8)21-14(18-11)19-13(20)7-3-9(16)6-10(17)4-7/h1-6H,(H,18,19,20) |
| InChIKey | JQXXLRWIPPDJOE-UHFFFAOYSA-N |
| Mol Weight | 402.09 g/mol |
| Molecular Formula | C14H7BrCl2N2OS |
| Exact Mass | 399.883952 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2LZaNuQYISO |
|---|---|
| Name | N-(6-Bromo-2-benzothiazolyl)-3,5-dichlorobenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 399.883952426 u |
| Formula | C14H7BrCl2N2OS |
| InChI | InChI=1S/C14H7BrCl2N2OS/c15-8-1-2-11-12(5-8)21-14(18-11)19-13(20)7-3-9(16)6-10(17)4-7/h1-6H,(H,18,19,20) |
| InChIKey | JQXXLRWIPPDJOE-UHFFFAOYSA-N |
| Molecular Weight | 402.093 g/mol |
| SMILES | C1=C2C(=CC=C1Br)N=C(S2)NC(C1=CC(=CC(=C1)Cl)Cl)=O |