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(-)-4-[2,6-Dimethoxy-4-(1,1-dimethylheptyl)phenyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-one
SpectraBase Compound ID EjqxWTwkPCZ
InChI InChI=1S/C26H38O3/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/h13-15,19-20H,8-12,16H2,1-7H3
InChIKey OHDBJOBHKRIPQX-UHFFFAOYSA-N
Mol Weight 398.6 g/mol
Molecular Formula C26H38O3
Exact Mass 398.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2MumAW329Y
Name (-)-4-[2,6-Dimethoxy-4-(1,1-dimethylheptyl)phenyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-one
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Formula C26H38O3
InChI InChI=1S/C26H38O3/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/h13-15,19-20H,8-12,16H2,1-7H3
InChIKey OHDBJOBHKRIPQX-UHFFFAOYSA-N
Molecular Weight 398.587 g/mol
SMILES C=1(C2C(C)(C)C(C(C1)=O)C2)c1c(cc(cc1OC)C(CCCCCC)(C)C)OC
SPLASH splash10-004j-0019000000-12ef2a32064a8ec44ab0
Source of Spectrum J-56-2084-7
Synonyms 4-[4-(1,1-dimethylheptyl)-2,6-dimethoxyphenyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-one
Wiley ID 1368660