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1-(4-Methoxyphenyl)-2-(4-tert-butylphenyl)anthraquinone

View entire compound with spectra: 1 NMR, and 2 MS (GC)

1-(4-Methoxyphenyl)-2-(4-tert-butylphenyl)anthraquinone
SpectraBase Compound ID D3noaetOWvY
InChI InChI=1S/C31H26O3/c1-31(2,3)21-13-9-19(10-14-21)23-17-18-26-28(27(23)20-11-15-22(34-4)16-12-20)30(33)25-8-6-5-7-24(25)29(26)32/h5-18H,1-4H3
InChIKey PFVGTAGIQRKPEC-UHFFFAOYSA-N
Mol Weight 446.55 g/mol
Molecular Formula C31H26O3
Exact Mass 446.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6M99vbSoWss
Name 1-(4-Methoxyphenyl)-2-(4-tert-butylphenyl)anthraquinone
Comments Computed using HOSE algorithm
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Exact Mass 446.188194694 u
Formula C31H26O3
InChI InChI=1S/C31H26O3/c1-31(2,3)21-13-9-19(10-14-21)23-17-18-26-28(27(23)20-11-15-22(34-4)16-12-20)30(33)25-8-6-5-7-24(25)29(26)32/h5-18H,1-4H3
InChIKey PFVGTAGIQRKPEC-UHFFFAOYSA-N
Molecular Weight 446.546 g/mol
SMILES C=12C(C=3C=CC=CC3C(C2=CC=C(C1C=1C=CC(=CC1)OC)C=1C=CC(C(C)(C)C)=CC1)=O)=O