| SpectraBase Compound ID | CDrfEf1HpF7 |
|---|---|
| InChI | InChI=1S/C15H11BrOS/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15H,9H2 |
| InChIKey | FMZRKHKXZYXRKP-UHFFFAOYSA-N |
| Mol Weight | 319.22 g/mol |
| Molecular Formula | C15H11BrOS |
| Exact Mass | 317.971399 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | P9JzYhNJuc |
|---|---|
| Name | 2-(4-Bromophenyl)-2,3-dihydro-1-benzothiopyran-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.971399147 u |
| Formula | C15H11BrOS |
| InChI | InChI=1S/C15H11BrOS/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15H,9H2 |
| InChIKey | FMZRKHKXZYXRKP-UHFFFAOYSA-N |
| Molecular Weight | 319.216 g/mol |
| SMILES | C=12SC(CC(C2=CC=CC1)=O)C1=CC=C(C=C1)Br |