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Dimethylsulfoxonium - 2-[(rac)-(1R,2R,3R)-1'-(2'',2''-dimethyl-1''-oxoprop-1''-yl)-2'-(2'''-hydroxyphenyl)-3'-butylcyclobut-1'-yl]-2-oxoethylide
SpectraBase Compound ID 3TIm57NQcW0
InChI InChI=1S/C23H34O4S/c1-7-8-11-16-14-23(21(26)22(2,3)4,19(25)15-28(5,6)27)20(16)17-12-9-10-13-18(17)24/h9-10,12-13,15-16,20,24H,7-8,11,14H2,1-6H3/t16-,20-,23-/m0/s1
InChIKey OZEJSDRJHYTKOO-GRWTVWFQSA-N
Mol Weight 406.6 g/mol
Molecular Formula C23H34O4S
Exact Mass 406.217781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8MEpcf0Zxzd
Name Dimethylsulfoxonium - 2-[(rac)-(1R,2R,3R)-1'-(2'',2''-dimethyl-1''-oxoprop-1''-yl)-2'-(2'''-hydroxyphenyl)-3'-butylcyclobut-1'-yl]-2-oxoethylide
Alternate Name(s) Dimethylsulfoxonium - 2-[(rac)-(1R,S,3S)-1'-(2'',2''-dimethyl-1''-oxoprop-1''-yl)-2'-(2'''-hydroxyphenyl)-3'-butylcyclobut-1'-yl]-2-oxoethylide 1-[(1S,2S,3S)-3-butyl-1-[2-[dimethyl(oxo)-$l^{6}-sulfanylidene]-1-oxoethyl]-2-(2-hydroxyphenyl)cyclobutyl]-2,2-dimethyl-1-propanone 1-[(1S,2S,3S)-3-butyl-1-[2-[dimethyl(oxo)-$l^{6}-sulfanylidene]acetyl]-2-(2-hydroxyphenyl)cyclobutyl]-2,2-dimethylpropan-1-one 1-[(1S,2S,3S)-3-butyl-1-[2-[dimethyl(oxo)-$l^{6}-sulfanylidene]acetyl]-2-(2-hydroxyphenyl)cyclobutyl]-2,2-dimethyl-propan-1-one 1-[(1S,2S,3S)-3-butyl-1-[2-[dimethyl(oxidanylidene)-$l^{6}-sulfanylidene]ethanoyl]-2-(2-hydroxyphenyl)cyclobutyl]-2,2-dimethyl-propan-1-one
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Formula C23H34O4S
InChI InChI=1S/C23H34O4S/c1-7-8-11-16-14-23(21(26)22(2,3)4,19(25)15-28(5,6)27)20(16)17-12-9-10-13-18(17)24/h9-10,12-13,15-16,20,24H,7-8,11,14H2,1-6H3/t16-,20-,23-/m0/s1
InChIKey OZEJSDRJHYTKOO-GRWTVWFQSA-N
Molecular Weight 406.581 g/mol
SMILES Oc1c([C@]2([C@](C(C=S(=O)(C)C)=O)(C(C(C)(C)C)=O)C[C@@]2(CCCC)[H])[H])cccc1
SPLASH splash10-0v59-0971000000-3812a3904bf511e0b2a1
Source of Spectrum F5-3-2303-13b
Wiley ID 1732352