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5-n-Octyl-3.beta.,9.beta.-dihydroxy-4,11-dioxatetracyclo[5.2.1.1(5,8).0(2,6)]undecane
SpectraBase Compound ID Es2ZPP7BrMn
InChI InChI=1S/C17H28O4/c1-2-3-4-5-6-7-8-17-13-11-9-10(12(13)16(19)21-17)14(18)15(11)20-17/h10-16,18-19H,2-9H2,1H3/t10-,11+,12+,13-,14-,15+,16-,17+/m0/s1
InChIKey DPRMTUAUMKGVGW-CPFOINDTSA-N
Mol Weight 296.41 g/mol
Molecular Formula C17H28O4
Exact Mass 296.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DuvJ6GaevJN
Name 5-n-Octyl-3.beta.,9.beta.-dihydroxy-4,11-dioxatetracyclo[5.2.1.1(5,8).0(2,6)]undecane
Comments Less than 3 mono-isotopic peaks
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Formula C17H28O4
InChI InChI=1S/C17H28O4/c1-2-3-4-5-6-7-8-17-13-11-9-10(12(13)16(19)21-17)14(18)15(11)20-17/h10-16,18-19H,2-9H2,1H3/t10-,11+,12+,13-,14-,15+,16-,17+/m0/s1
InChIKey DPRMTUAUMKGVGW-CPFOINDTSA-N
Molecular Weight 296.407 g/mol
SMILES O[C@]1([C@@]2([C@@]3([C@]4([C@@](O[C@@]3(O)[H])(O[C@@]1([C@@]4(C2)[H])[H])CCCCCCCC)[H])[H])[H])[H]
SPLASH splash10-0006-0900000000-28c6008b1eb338dfca33
Source of Spectrum F-56-345-4
Synonyms (4S,9S)-6-octyl-5,7-dioxatetracyclo[6.3.0.0(2,6).0(3,10)]undecane-4,9-diol
Wiley ID 855593