| SpectraBase Compound ID | EOes7u5Lmhp |
|---|---|
| InChI | InChI=1S/C7H7BrS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3 |
| InChIKey | NKYFJZAKUPSUSH-UHFFFAOYSA-N |
| Mol Weight | 203.1 g/mol |
| Molecular Formula | C7H7BrS |
| Exact Mass | 201.945184 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BL6hL8TPmil |
|---|---|
| Name | 3-Bromothioanisole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.945184399 u |
| Formula | C7H7BrS |
| InChI | InChI=1S/C7H7BrS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3 |
| InChIKey | NKYFJZAKUPSUSH-UHFFFAOYSA-N |
| Molecular Weight | 203.097 g/mol |
| SMILES | C1=C(C=CC=C1SC)Br |