| SpectraBase Compound ID | AoKuSB747tE |
|---|---|
| InChI | InChI=1S/C6H7BrOS/c1-8-3-6-2-5(7)4-9-6/h2,4H,3H2,1H3 |
| InChIKey | QAOVKNAMURILRG-UHFFFAOYSA-N |
| Mol Weight | 207.08 g/mol |
| Molecular Formula | C6H7BrOS |
| Exact Mass | 205.940099 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9XBWEi2bgGB |
|---|---|
| Name | (4-Bromo-2-thienyl)methanol, me derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.940099018 u |
| Formula | C6H7BrOS |
| InChI | InChI=1S/C6H7BrOS/c1-8-3-6-2-5(7)4-9-6/h2,4H,3H2,1H3 |
| InChIKey | QAOVKNAMURILRG-UHFFFAOYSA-N |
| Molecular Weight | 207.085 g/mol |
| SMILES | C=1(SC=C(C1)Br)COC |