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1-[(1R*,2S*,4S*)-1-(5,5-Dimethyl-1,3-dioxan-2-yl)-5-methylenebicyclo[2.2.2]octan-2-yl]propan-2-one
SpectraBase Compound ID 8xKWaSx42gR
InChI InChI=1S/C18H28O3/c1-12-9-18(16-20-10-17(3,4)11-21-16)6-5-14(12)8-15(18)7-13(2)19/h14-16H,1,5-11H2,2-4H3/t14-,15+,18-/m0/s1
InChIKey QFLYGAMLMGTCGW-DAYGRLMNSA-N
Mol Weight 292.42 g/mol
Molecular Formula C18H28O3
Exact Mass 292.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANO16B4ikK8
Name 1-[(1R*,2S*,4S*)-1-(5,5-Dimethyl-1,3-dioxan-2-yl)-5-methylenebicyclo[2.2.2]octan-2-yl]propan-2-one
Appearance Pale yellow oil
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Exact Mass 292.203844759 u
Formula C18H28O3
InChI InChI=1S/C18H28O3/c1-12-9-18(16-20-10-17(3,4)11-21-16)6-5-14(12)8-15(18)7-13(2)19/h14-16H,1,5-11H2,2-4H3/t14-,15+,18-/m0/s1
InChIKey QFLYGAMLMGTCGW-DAYGRLMNSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800806
Molecular Weight 292.419 g/mol
Quality 147
Reported Formula C18H28O3
SMILES [C@]12(CC[C@@]([C@@](C2)(CC(C)=O)[H])(CC1=C)C1OCC(CO1)(C)C)[H]
SPLASH splash10-014i-7920000000-5e6736a81d56618d9fd2
Source of Spectrum K1-2018-4694-19 (DOI: 10.1002/ejoc.201800806)
Wiley ID 1894267