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(1.alpha.,3S*,4a.alpha.,7R*)-7-Isopropenyl-1,3-dimethoxy-3-(methylthiomethyl)bicyclo[2.2.0]oct-5-en-2-one
SpectraBase Compound ID LqxR2EAwozs
InChI InChI=1S/C15H22O3S/c1-10(2)12-8-11-6-7-14(12,17-3)13(16)15(11,18-4)9-19-5/h6-7,11-12H,1,8-9H2,2-5H3/t11-,12-,14-,15+/m1/s1
InChIKey HQHMFJQZMSLKBJ-GBOPCIDUSA-N
Mol Weight 282.4 g/mol
Molecular Formula C15H22O3S
Exact Mass 282.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CXZj7PGB3oT
Name (1.alpha.,3S*,4a.alpha.,7R*)-7-Isopropenyl-1,3-dimethoxy-3-(methylthiomethyl)bicyclo[2.2.0]oct-5-en-2-one
Alternate Name(s) (1S,2S,4R,8R)-2,4-dimethoxy-8-(1-methylethenyl)-2-[(methylthio)methyl]-3-bicyclo[2.2.2]oct-5-enone (1S,2S,4R,8R)-2,4-dimethoxy-2-(methylsulfanylmethyl)-8-prop-1-en-2-ylbicyclo[2.2.2]oct-5-en-3-one (1S,2S,4R,8R)-8-isopropenyl-2,4-dimethoxy-2-(methylsulfanylmethyl)bicyclo[2.2.2]oct-5-en-3-one (1S,2S,4R,8R)-2,4-dimethoxy-2-(methylsulfanylmethyl)-8-prop-1-en-2-yl-bicyclo[2.2.2]oct-5-en-3-one
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Formula C15H22O3S
InChI InChI=1S/C15H22O3S/c1-10(2)12-8-11-6-7-14(12,17-3)13(16)15(11,18-4)9-19-5/h6-7,11-12H,1,8-9H2,2-5H3/t11-,12-,14-,15+/m1/s1
InChIKey HQHMFJQZMSLKBJ-GBOPCIDUSA-N
Molecular Weight 282.398 g/mol
SMILES [C@]12(C([C@](OC)(CSC)[C@](C=C2)(C[C@@]1(C(=C)C)[H])[H])=O)OC
SPLASH splash10-0a4i-0090000000-5115e7763eb6d4e8c608
Source of Spectrum KC-0-567-8
Wiley ID 787512