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4-Methyl-2,4-di(4'methoxyphenyl)-2-(2'-methoxyphenyl)pentane
SpectraBase Compound ID AfDmLEvHfPN
InChI InChI=1S/C27H32O3/c1-26(2,20-11-15-22(28-4)16-12-20)19-27(3,21-13-17-23(29-5)18-14-21)24-9-7-8-10-25(24)30-6/h7-18H,19H2,1-6H3
InChIKey BLCRZNPSEVCYSX-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C27H32O3
Exact Mass 404.235145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9JyZauExMqu
Name 4-Methyl-2,4-di(4'methoxyphenyl)-2-(2'-methoxyphenyl)pentane
Comments Computed using HOSE algorithm
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Exact Mass 404.235144887 u
Formula C27H32O3
InChI InChI=1S/C27H32O3/c1-26(2,20-11-15-22(28-4)16-12-20)19-27(3,21-13-17-23(29-5)18-14-21)24-9-7-8-10-25(24)30-6/h7-18H,19H2,1-6H3
InChIKey BLCRZNPSEVCYSX-UHFFFAOYSA-N
Molecular Weight 404.550 g/mol
SMILES CC(CC(C1=CC=C(C=C1)OC)(C)C)(C1=CC=CC=C1OC)C1=CC=C(C=C1)OC