| SpectraBase Compound ID | 5Q9F1UeBCCF |
|---|---|
| InChI | InChI=1S/C9H5BrO2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H |
| InChIKey | YJEXMTAPHNNDEJ-UHFFFAOYSA-N |
| Mol Weight | 257.1 g/mol |
| Molecular Formula | C9H5BrO2S |
| Exact Mass | 255.919364 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6YmBmTaopsQ |
|---|---|
| Name | Thioxol-2-one, 4-(4-bromophenyl)- |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H5BrO2S |
| InChI | InChI=1S/C9H5BrO2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H |
| InChIKey | YJEXMTAPHNNDEJ-UHFFFAOYSA-N |
| Molecular Weight | 257.101 g/mol |
| SMILES | c1c(ccc(c1)Br)C1=CSC(O1)=O |
| SPLASH | splash10-0a7r-9730000000-bf08ccfbc3dcef19fd9e |
| Source of Spectrum | AD-0-2532-0 |
| Synonyms | 5-(4-Bromophenyl)-1,3-oxathiol-2-one |
| Wiley ID | 1430158 |