| SpectraBase Compound ID | 4vIgjPM0KSQ |
|---|---|
| InChI | InChI=1S/C12H6Br2S/c13-9-5-1-3-7-8-4-2-6-10(14)12(8)15-11(7)9/h1-6H |
| InChIKey | ULGFJZPCGNTWFK-UHFFFAOYSA-N |
| Mol Weight | 342.05 g/mol |
| Molecular Formula | C12H6Br2S |
| Exact Mass | 339.855697 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7KuL7aJllrl |
|---|---|
| Name | 4,6-Dibromodibenzothiophene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.855697367 u |
| Formula | C12H6Br2S |
| InChI | InChI=1S/C12H6Br2S/c13-9-5-1-3-7-8-4-2-6-10(14)12(8)15-11(7)9/h1-6H |
| InChIKey | ULGFJZPCGNTWFK-UHFFFAOYSA-N |
| Molecular Weight | 342.048 g/mol |
| SMILES | C=12C(C=3C(S2)=C(C=CC3)Br)=CC=CC1Br |