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5-Methyl-9.beta.-tosyl-3-oxo-4,11-dioxatetracyclo[5.2.1.1(5,8).0(2,6)]dodecane
SpectraBase Compound ID HejjXXtJVtJ
InChI InChI=1S/C18H20O6S/c1-9-3-5-10(6-4-9)25(20,21)24-16-11-7-8-12-14-13(11)17(19)23-18(14,2)22-15(12)16/h3-6,11-16H,7-8H2,1-2H3/t11-,12+,13?,14+,15-,16+,18?/m1/s1
InChIKey LNVOHWRGFLNSNN-ZMAZVHBFSA-N
Mol Weight 364.41 g/mol
Molecular Formula C18H20O6S
Exact Mass 364.09806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xjWu16t4CC
Name 5-Methyl-9.beta.-tosyl-3-oxo-4,11-dioxatetracyclo[5.2.1.1(5,8).0(2,6)]dodecane
Comments Less than 3 mono-isotopic peaks
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Formula C18H20O6S
InChI InChI=1S/C18H20O6S/c1-9-3-5-10(6-4-9)25(20,21)24-16-11-7-8-12-14-13(11)17(19)23-18(14,2)22-15(12)16/h3-6,11-16H,7-8H2,1-2H3/t11-,12+,13?,14+,15-,16+,18?/m1/s1
InChIKey LNVOHWRGFLNSNN-ZMAZVHBFSA-N
Molecular Weight 364.412 g/mol
SMILES C12([C@@]3(C([C@@]4([C@@]([C@](O2)([C@]3(CC4)[H])[H])(OS(c2ccc(C)cc2)(=O)=O)[H])[H])C(O1)=O)[H])C
SPLASH splash10-014i-0900000000-3596b124ffb296ac3470
Source of Spectrum F-56-348-28
Wiley ID 855577