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(4R)-4-[4-(1',1'-Dimethylheptyl)-2,6-dihydroxyphenyl]-6,6-dimethyl-2-norpinanone
SpectraBase Compound ID 8YNhceTvjO5
InChI InChI=1S/C24H36O3/c1-6-7-8-9-10-23(2,3)15-11-20(26)22(21(27)12-15)16-13-19(25)18-14-17(16)24(18,4)5/h11-12,16-18,26-27H,6-10,13-14H2,1-5H3/t16-,17?,18?/m1/s1
InChIKey FNTPCMPJXYNWGS-WWDZGPRUSA-N
Mol Weight 372.5 g/mol
Molecular Formula C24H36O3
Exact Mass 372.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CffPAkr6d5U
Name (4R)-4-[4-(1',1'-Dimethylheptyl)-2,6-dihydroxyphenyl]-6,6-dimethyl-2-norpinanone
Comments Computed using HOSE algorithm
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Exact Mass 372.266445016 u
Formula C24H36O3
InChI InChI=1S/C24H36O3/c1-6-7-8-9-10-23(2,3)15-11-20(26)22(21(27)12-15)16-13-19(25)18-14-17(16)24(18,4)5/h11-12,16-18,26-27H,6-10,13-14H2,1-5H3/t16-,17?,18?/m1/s1
InChIKey FNTPCMPJXYNWGS-WWDZGPRUSA-N
Molecular Weight 372.549 g/mol
SMILES C12[C@](C=3C(=CC(=CC3O)C(CCCCCC)(C)C)O)(CC(C(C1)C2(C)C)=O)[H]