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(Rs)-2,2-Dimethyl-5-[3-oxo-4-(p-tolylsulfinyl)butyl]-1,3-dioxane
SpectraBase Compound ID FSAfoyuE8oX
InChI InChI=1S/C17H24O4S/c1-13-4-8-16(9-5-13)22(19)12-15(18)7-6-14-10-20-17(2,3)21-11-14/h4-5,8-9,14H,6-7,10-12H2,1-3H3
InChIKey UFEIKRRJZCISEV-UHFFFAOYSA-N
Mol Weight 324.44 g/mol
Molecular Formula C17H24O4S
Exact Mass 324.13953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JaQP45kfab7
Name (Rs)-2,2-Dimethyl-5-[3-oxo-4-(p-tolylsulfinyl)butyl]-1,3-dioxane
Comments Less than 3 mono-isotopic peaks
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Formula C17H24O4S
InChI InChI=1S/C17H24O4S/c1-13-4-8-16(9-5-13)22(19)12-15(18)7-6-14-10-20-17(2,3)21-11-14/h4-5,8-9,14H,6-7,10-12H2,1-3H3
InChIKey UFEIKRRJZCISEV-UHFFFAOYSA-N
Molecular Weight 324.435 g/mol
SMILES C1(OCC(CO1)CCC(CS(=O)c1ccc(cc1)C)=O)(C)C
SPLASH splash10-000i-0904000000-c28629ab2f357347703c
Source of Spectrum E1-44-1149-5
Synonyms 4-(2,2-dimethyl-1,3-dioxan-5-yl)-1-[(4-methylphenyl)sulfinyl]-2-butanone
Wiley ID 1553416