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1,9-Di-n-butyl-3 beta,7 .alpha.-dimethoxy-2,8,12-trioxatetracyclo[7.2.1.0.(4,11)0.(6,10)]dodecane
SpectraBase Compound ID 7FlvXYYInAU
InChI InChI=1S/C19H32O5/c1-5-7-9-18-14-12(16(20-3)22-18)11-13-15(14)19(24-18,10-8-6-2)23-17(13)21-4/h12-17H,5-11H2,1-4H3/t12?,13?,14?,15?,16-,17+,18?,19?
InChIKey LIGKUAZIAKWZDA-GQYJEPOKSA-N
Mol Weight 340.5 g/mol
Molecular Formula C19H32O5
Exact Mass 340.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bp8cGguLKxM
Name 1,9-Di-n-butyl-3 beta,7 .alpha.-dimethoxy-2,8,12-trioxatetracyclo[7.2.1.0.(4,11)0.(6,10)]dodecane
Comments Less than 3 mono-isotopic peaks
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Formula C19H32O5
InChI InChI=1S/C19H32O5/c1-5-7-9-18-14-12(16(20-3)22-18)11-13-15(14)19(24-18,10-8-6-2)23-17(13)21-4/h12-17H,5-11H2,1-4H3/t12?,13?,14?,15?,16-,17+,18?,19?
InChIKey LIGKUAZIAKWZDA-GQYJEPOKSA-N
Molecular Weight 340.460 g/mol
SMILES C12(C3C4C(CC3[C@@](O1)(OC)[H])[C@](OC4(O2)CCCC)(OC)[H])CCCC
SPLASH splash10-0002-0900000000-55aaa0413e0133a09516
Source of Spectrum F-67-7240-14c
Wiley ID 1687672