SpectraBase Compound ID | Lv0xhviigCe |
---|---|
InChI | InChI=1S/C12H16O4S/c1-9-3-5-11(6-4-9)17(15,16)8-12(14)10(2)7-13/h3-6,10,13H,7-8H2,1-2H3 |
InChIKey | WFKQPLZWXBFISS-UHFFFAOYSA-N |
Mol Weight | 256.32 g/mol |
Molecular Formula | C12H16O4S |
Exact Mass | 256.07693 g/mol |
SpectraBase Spectrum ID | 7exppRrXWJp |
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Name | 4-Hydroxy-3-methyl-1-[(4-methylphenyl)sulfonyl]-2-butanone |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C12H16O4S |
InChI | InChI=1S/C12H16O4S/c1-9-3-5-11(6-4-9)17(15,16)8-12(14)10(2)7-13/h3-6,10,13H,7-8H2,1-2H3 |
InChIKey | WFKQPLZWXBFISS-UHFFFAOYSA-N |
Molecular Weight | 256.316 g/mol |
SMILES | OCC(C(CS(=O)(=O)c1ccc(cc1)C)=O)C |
SPLASH | splash10-0a4l-9750000000-09b487e1aa4648319cf9 |
Source of Spectrum | KC-57-5230-3 |
Wiley ID | 1624603 |