| SpectraBase Compound ID | 7EF7qOXBC4P |
|---|---|
| InChI | InChI=1S/C9H7BrO2S/c10-7-5-13(12)8-4-2-1-3-6(8)9(7)11/h1-4,7H,5H2 |
| InChIKey | XAKGTEMIURUVKK-UHFFFAOYSA-N |
| Mol Weight | 259.12 g/mol |
| Molecular Formula | C9H7BrO2S |
| Exact Mass | 257.935014 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6nS9JYMmxSU |
|---|---|
| Name | 3-Bromothiochroman-4-one S-Oxide |
| CAS Registry Number | 57314-29-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H7BrO2S |
| InChI | InChI=1S/C9H7BrO2S/c10-7-5-13(12)8-4-2-1-3-6(8)9(7)11/h1-4,7H,5H2 |
| InChIKey | XAKGTEMIURUVKK-UHFFFAOYSA-N |
| Molecular Weight | 259.117 g/mol |
| SMILES | c12S(CC(C(c2cccc1)=O)Br)=O |
| SPLASH | splash10-0udr-0900000000-4fb439d6f6011f09e9b4 |
| Source of Spectrum | KC-1982-398-8 |
| Wiley ID | 1261171 |