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5-n-Octyl-9.beta.-hydroxy-3-oxo-4,11-dioxatetracyclo[5.2.1.1(5,8).0(2,6)]undecane
SpectraBase Compound ID BK9PBBFt338
InChI InChI=1S/C17H26O4/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/h10-15,18H,2-9H2,1H3/t10-,11+,12+,13-,14-,15+,17+/m0/s1
InChIKey ZHEMNTROSGNNOC-IDQDBYOESA-N
Mol Weight 294.39 g/mol
Molecular Formula C17H26O4
Exact Mass 294.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HBbyYuCzAOg
Name 5-n-Octyl-9.beta.-hydroxy-3-oxo-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 C17H26O4
InChI InChI=1S/C17H26O4/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/h10-15,18H,2-9H2,1H3/t10-,11+,12+,13-,14-,15+,17+/m0/s1
InChIKey ZHEMNTROSGNNOC-IDQDBYOESA-N
Molecular Weight 294.391 g/mol
SMILES O[C@@]1([C@@]2(O[C@]3([C@@]4([C@@]([C@@]1(C[C@@]24[H])[H])(C(O3)=O)[H])[H])CCCCCCCC)[H])[H]
SPLASH splash10-001i-0900000000-d80cd41168f48a8fde03
Source of Spectrum F-56-346-8
Synonyms (9S)-9-hydroxy-6-octyl-5,7-dioxatetracyclo[6.3.0.0(2,6).0(3,10)]undecan-4-one
Wiley ID 855590