![Thiophene, 2-[(4-bromophenyl)ethynyl]-](/api/spectrum/7LF1Ou09CdQ/structure.png?h=300&w=458 "Thiophene, 2-[(4-bromophenyl)ethynyl]-")
| SpectraBase Compound ID | LNg3aIbKSIs |
|---|---|
| InChI | InChI=1S/C12H7BrS/c13-11-6-3-10(4-7-11)5-8-12-2-1-9-14-12/h1-4,6-7,9H |
| InChIKey | BBXUENSTFJPRLY-UHFFFAOYSA-N |
| Mol Weight | 263.15 g/mol |
| Molecular Formula | C12H7BrS |
| Exact Mass | 261.945184 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7LF1Ou09CdQ |
|---|---|
| Name | Thiophene, 2-[(4-bromophenyl)ethynyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.945184399 u |
| Formula | C12H7BrS |
| InChI | InChI=1S/C12H7BrS/c13-11-6-3-10(4-7-11)5-8-12-2-1-9-14-12/h1-4,6-7,9H |
| InChIKey | BBXUENSTFJPRLY-UHFFFAOYSA-N |
| SMILES | C(#CC=1C=CC(=CC1)Br)C=1SC=CC1 |