| SpectraBase Compound ID | CtS1dX2xphR |
|---|---|
| InChI | InChI=1S/C8H11BrS/c9-6-2-1-4-8-5-3-7-10-8/h3,5,7H,1-2,4,6H2 |
| InChIKey | GHTCEOPJYODOQF-UHFFFAOYSA-N |
| Mol Weight | 219.14 g/mol |
| Molecular Formula | C8H11BrS |
| Exact Mass | 217.976485 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I5dZl84SN9J |
|---|---|
| Name | 2-(4-Bromobutyl)thiophene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.976484528 u |
| Formula | C8H11BrS |
| InChI | InChI=1S/C8H11BrS/c9-6-2-1-4-8-5-3-7-10-8/h3,5,7H,1-2,4,6H2 |
| InChIKey | GHTCEOPJYODOQF-UHFFFAOYSA-N |
| Molecular Weight | 219.140 g/mol |
| SMILES | C1=CSC(CCCCBr)=C1 |