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Dimethylsulfoxonium - 2-[(rac)-(1R,2R,3R)-1'-(2'',2''-dimethyl-1''-oxoprop-1''-yl)-2'-(2'''-hydroxyphenyl)-3'-phenylcyclobut-1'-yl]-2-oxoethylide
SpectraBase Compound ID 79yE7BDxdJ
InChI InChI=1S/C25H30O4S/c1-24(2,3)23(28)25(21(27)16-30(4,5)29)15-19(17-11-7-6-8-12-17)22(25)18-13-9-10-14-20(18)26/h6-14,16,19,22,26H,15H2,1-5H3/t19-,22-,25+/m1/s1
InChIKey PVKMGWPONWRLNI-QNIAMRLHSA-N
Mol Weight 426.57 g/mol
Molecular Formula C25H30O4S
Exact Mass 426.186481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9gS9n5swXb5
Name Dimethylsulfoxonium - 2-[(rac)-(1R,2R,3R)-1'-(2'',2''-dimethyl-1''-oxoprop-1''-yl)-2'-(2'''-hydroxyphenyl)-3'-phenylcyclobut-1'-yl]-2-oxoethylide
Alternate Name(s) Dimethylsulfoxonium - 2-[(rac)-(1R,2S,3S)-1'-(2'',2''-dimethyl-1''-oxoprop-1''-yl)-2'-(2'''-hydroxyphenyl)-3'-phenylcyclobut-1'-yl]-2-oxoethylide 1-[(1S,2S,3S)-1-[2-[dimethyl(oxo)-$l^{6}-sulfanylidene]-1-oxoethyl]-2-(2-hydroxyphenyl)-3-phenylcyclobutyl]-2,2-dimethyl-1-propanone 1-[(1S,2S,3S)-1-[2-[dimethyl(oxo)-$l^{6}-sulfanylidene]acetyl]-2-(2-hydroxyphenyl)-3-phenylcyclobutyl]-2,2-dimethylpropan-1-one 1-[(1S,2S,3S)-1-[2-[dimethyl(oxo)-$l^{6}-sulfanylidene]acetyl]-2-(2-hydroxyphenyl)-3-phenyl-cyclobutyl]-2,2-dimethyl-propan-1-one 1-[(1S,2S,3S)-1-[2-[dimethyl(oxidanylidene)-$l^{6}-sulfanylidene]ethanoyl]-2-(2-hydroxyphenyl)-3-phenyl-cyclobutyl]-2,2-dimethyl-propan-1-one
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Formula C25H30O4S
InChI InChI=1S/C25H30O4S/c1-24(2,3)23(28)25(21(27)16-30(4,5)29)15-19(17-11-7-6-8-12-17)22(25)18-13-9-10-14-20(18)26/h6-14,16,19,22,26H,15H2,1-5H3/t19-,22-,25+/m1/s1
InChIKey PVKMGWPONWRLNI-QNIAMRLHSA-N
Molecular Weight 426.571 g/mol
SMILES Oc1c([C@]2([C@](C(C=S(=O)(C)C)=O)(C(C(C)(C)C)=O)C[C@@]2(c2ccccc2)[H])[H])cccc1
SPLASH splash10-0udi-0920000000-952625f3f4bf6dc40c71
Source of Spectrum F5-3-2303-13a
Wiley ID 1732353