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(-)-4-[2,6-Dimethoxy-4-(1,1-dimethylheptyl)phenyl]-6,6-dimethylbicyclo[3.1.1]heptan-2-one
SpectraBase Compound ID 9kvPLJDgQim
InChI InChI=1S/C26H40O3/c1-8-9-10-11-12-25(2,3)17-13-22(28-6)24(23(14-17)29-7)18-15-21(27)20-16-19(18)26(20,4)5/h13-14,18-20H,8-12,15-16H2,1-7H3
InChIKey IEENJRBEGJWWCN-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C26H40O3
Exact Mass 400.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95zeUmowMAT
Name (-)-4-[2,6-Dimethoxy-4-(1,1-dimethylheptyl)phenyl]-6,6-dimethylbicyclo[3.1.1]heptan-2-one
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Formula C26H40O3
InChI InChI=1S/C26H40O3/c1-8-9-10-11-12-25(2,3)17-13-22(28-6)24(23(14-17)29-7)18-15-21(27)20-16-19(18)26(20,4)5/h13-14,18-20H,8-12,15-16H2,1-7H3
InChIKey IEENJRBEGJWWCN-UHFFFAOYSA-N
Molecular Weight 400.603 g/mol
SMILES C12C(c3c(cc(cc3OC)C(CCCCCC)(C)C)OC)CC(C(C1)C2(C)C)=O
SPLASH splash10-0ufu-0059400000-ba9d6c7c7a465e787400
Source of Spectrum J-56-2085-9
Synonyms 4-[4-(1,1-dimethylheptyl)-2,6-dimethoxyphenyl]-6,6-dimethylbicyclo[3.1.1]heptan-2-one 2-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-4-bicyclo[3.1.1]heptanone 2-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethylbicyclo[3.1.1]heptan-4-one 2-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-bicyclo[3.1.1]heptan-4-one
Wiley ID 1369648