| SpectraBase Compound ID | 1NhrqwocxLt |
|---|---|
| InChI | InChI=1S/C14H9BrN2OS/c15-10-7-5-9(6-8-10)13(18)17-14-16-11-3-1-2-4-12(11)19-14/h1-8H,(H,16,17,18) |
| InChIKey | ZENZLVABFRDYLF-UHFFFAOYSA-N |
| Mol Weight | 333.2 g/mol |
| Molecular Formula | C14H9BrN2OS |
| Exact Mass | 331.961897 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J4zYlw5aeCV |
|---|---|
| Name | 2-(4-Bromobenzoylamino)-benzothiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.961897091 u |
| Formula | C14H9BrN2OS |
| InChI | InChI=1S/C14H9BrN2OS/c15-10-7-5-9(6-8-10)13(18)17-14-16-11-3-1-2-4-12(11)19-14/h1-8H,(H,16,17,18) |
| InChIKey | ZENZLVABFRDYLF-UHFFFAOYSA-N |
| Molecular Weight | 333.203 g/mol |
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC(C1=CC=C(C=C1)Br)=O |