| SpectraBase Compound ID | CJEDwZMdsSj |
|---|---|
| InChI | InChI=1S/C11H6Br2OS/c12-8-3-1-7(2-4-8)11(14)9-5-15-6-10(9)13/h1-6H |
| InChIKey | YJLAVDGEHXZFLQ-UHFFFAOYSA-N |
| Mol Weight | 346.04 g/mol |
| Molecular Formula | C11H6Br2OS |
| Exact Mass | 343.850612 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 77P5FrOGJH9 |
|---|---|
| Name | (4-Bromanylthiophen-3-yl)-(4-bromophenyl)methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.850611986 u |
| Formula | C11H6Br2OS |
| InChI | InChI=1S/C11H6Br2OS/c12-8-3-1-7(2-4-8)11(14)9-5-15-6-10(9)13/h1-6H |
| InChIKey | YJLAVDGEHXZFLQ-UHFFFAOYSA-N |
| Molecular Weight | 346.036 g/mol |
| SMILES | C=1(C(C2=CC=C(C=C2)Br)=O)C(=CSC1)Br |