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2.beta.,8.alpha.-Bis(methylthio)-4,6-dimethyl-3,5,7-trioxatetracyclo[7.2.1.0(4,11).0(6,10)]dodecane
SpectraBase Compound ID IVYRnuzCJ35
InChI InChI=1S/C13H20O3S2/c1-12-8-6(10(14-12)17-3)5-7-9(8)13(2,16-12)15-11(7)18-4/h6-11H,5H2,1-4H3/t6?,7?,8?,9?,10-,11-,12?,13?/m1/s1
InChIKey QUCIQDLCAKPNMH-VGUHOFSHSA-N
Mol Weight 288.42 g/mol
Molecular Formula C13H20O3S2
Exact Mass 288.085387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5124fTsOpti
Name 2.beta.,8.alpha.-Bis(methylthio)-4,6-dimethyl-3,5,7-trioxatetracyclo[7.2.1.0(4,11).0(6,10)]dodecane
Comments Less than 3 mono-isotopic peaks
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Formula C13H20O3S2
InChI InChI=1S/C13H20O3S2/c1-12-8-6(10(14-12)17-3)5-7-9(8)13(2,16-12)15-11(7)18-4/h6-11H,5H2,1-4H3/t6?,7?,8?,9?,10-,11-,12?,13?/m1/s1
InChIKey QUCIQDLCAKPNMH-VGUHOFSHSA-N
Molecular Weight 288.420 g/mol
SMILES C12(C3C4C(CC3[C@](O1)(SC)[H])[C@](OC4(O2)C)(SC)[H])C
SPLASH splash10-0006-0090000000-bbd77a8bdd5734b60170
Source of Spectrum J-62-3213-11
Synonyms (2R,4R)-5a,6a-dimethyl-2,4-bis(methylsulfanyl)octahydro-2H-1,5,6-trioxadicyclopenta[cd,gh]pentalene
Wiley ID 1291414