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3,8,13-Trioxaoctacyclo[13.2.2.2(6,10).0(2,14).0(4,17).0(5,11).0(7,9).0(12,16)]uneicosane
SpectraBase Compound ID Hbc2DF70ATE
InChI InChI=1S/C18H22O3/c1-2-6-10-9(5(1)13-14(6)19-13)17-11-7-3-4-8-12(11)18(10)21-16(8)15(7)20-17/h5-18H,1-4H2/t5?,6?,7-,8+,9?,10?,11-,12+,13?,14?,15+,16-,17?,18?
InChIKey HOAJCPLQPDKRFB-WQVYWWNLSA-N
Mol Weight 286.37 g/mol
Molecular Formula C18H22O3
Exact Mass 286.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38zXVE2Y2t0
Name 3,8,13-Trioxaoctacyclo[13.2.2.2(6,10).0(2,14).0(4,17).0(5,11).0(7,9).0(12,16)]uneicosane
Comments Less than 3 mono-isotopic peaks
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Formula C18H22O3
InChI InChI=1S/C18H22O3/c1-2-6-10-9(5(1)13-14(6)19-13)17-11-7-3-4-8-12(11)18(10)21-16(8)15(7)20-17/h5-18H,1-4H2/t5?,6?,7-,8+,9?,10?,11-,12+,13?,14?,15+,16-,17?,18?
InChIKey HOAJCPLQPDKRFB-WQVYWWNLSA-N
Molecular Weight 286.371 g/mol
SMILES C12C(C3C4C5[C@@]6([C@]7(CC[C@]8([C@@]6(C(C4C2CC3)O[C@]8([C@]7(O5)[H])[H])[H])[H])[H])[H])O1
SPLASH splash10-014r-0950000000-867dd2c0022bb7e723ec
Source of Spectrum QA-45-803-17
Synonyms 12,17,21-trioxaoctacyclo[13.3.2.1(3,10).0(2,14).0(4,9).0(5,13).0(6,11).0(16,18)]henicosane Henicosane
Wiley ID 862973