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4,6-Dimethyl-2.beta.-methylthio-8-oxo-3,5,7-trioxatetracyclo[7.2.1.0(4,11).0(6,10)]dodecane
SpectraBase Compound ID DyS6m4u42X8
InChI InChI=1S/C12H16O4S/c1-11-7-5(9(13)14-11)4-6-8(7)12(2,16-11)15-10(6)17-3/h5-8,10H,4H2,1-3H3/t5?,6?,7?,8?,10-,11?,12?/m1/s1
InChIKey VAQJDRGTCKIVAN-XRRULUSMSA-N
Mol Weight 256.32 g/mol
Molecular Formula C12H16O4S
Exact Mass 256.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IhtoCPAse87
Name 4,6-Dimethyl-2.beta.-methylthio-8-oxo-3,5,7-trioxatetracyclo[7.2.1.0(4,11).0(6,10)]dodecane
Alternate Name(s) (4R)-5a,6a-dimethyl-4-(methylsulfanyl)octahydro-2H-1,5,6-trioxadicyclopenta[cd,gh]pentalen-2-one
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Formula C12H16O4S
InChI InChI=1S/C12H16O4S/c1-11-7-5(9(13)14-11)4-6-8(7)12(2,16-11)15-10(6)17-3/h5-8,10H,4H2,1-3H3/t5?,6?,7?,8?,10-,11?,12?/m1/s1
InChIKey VAQJDRGTCKIVAN-XRRULUSMSA-N
Molecular Weight 256.316 g/mol
SMILES C12(C3C4C(CC3C(O1)=O)[C@](OC4(O2)C)(SC)[H])C
SPLASH splash10-066r-0970000000-78e337168bf4e7f2fa68
Source of Spectrum QA-44-74-7
Wiley ID 862408