| SpectraBase Compound ID | 3GuN7rwevRZ |
|---|---|
| InChI | InChI=1S/C13H9BrOS3/c14-13-6-5-12(18-13)11-4-3-10(17-11)9-2-1-8(7-15)16-9/h1-6,15H,7H2 |
| InChIKey | AEZGFOZVIAGCHQ-UHFFFAOYSA-N |
| Mol Weight | 357.3 g/mol |
| Molecular Formula | C13H9BrOS3 |
| Exact Mass | 355.899891 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CPU3bK5tK5z |
|---|---|
| Name | 5-Bromo-5''-hydroxymethyl-2,2':5',2''-terthiophene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.899891431 u |
| Formula | C13H9BrOS3 |
| InChI | InChI=1S/C13H9BrOS3/c14-13-6-5-12(18-13)11-4-3-10(17-11)9-2-1-8(7-15)16-9/h1-6,15H,7H2 |
| InChIKey | AEZGFOZVIAGCHQ-UHFFFAOYSA-N |
| Molecular Weight | 357.298 g/mol |
| SMILES | C1(=CC=C(S1)Br)C1=CC=C(S1)C1=CC=C(S1)CO |