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2-[bis(p-Methoxyphenyl)methyl]-3-hydroxy-1,4-naphthoquinone

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

2-[bis(p-Methoxyphenyl)methyl]-3-hydroxy-1,4-naphthoquinone
SpectraBase Compound ID GHNHdw5KA1k
InChI InChI=1S/C25H20O5/c1-29-17-11-7-15(8-12-17)21(16-9-13-18(30-2)14-10-16)22-23(26)19-5-3-4-6-20(19)24(27)25(22)28/h3-14,21,28H,1-2H3
InChIKey DITNDEFHCAFGOF-UHFFFAOYSA-N
Mol Weight 400.43 g/mol
Molecular Formula C25H20O5
Exact Mass 400.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2LGG5mXdtXi
Name 2-[bis(p-Methoxyphenyl)methyl]-3-hydroxy-1,4-naphthoquinone
Comments Computed using HOSE algorithm
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Exact Mass 400.131073739 u
Formula C25H20O5
InChI InChI=1S/C25H20O5/c1-29-17-11-7-15(8-12-17)21(16-9-13-18(30-2)14-10-16)22-23(26)19-5-3-4-6-20(19)24(27)25(22)28/h3-14,21,28H,1-2H3
InChIKey DITNDEFHCAFGOF-UHFFFAOYSA-N
Molecular Weight 400.430 g/mol
SMILES OC1=C(C(C=2C=CC=CC2C1=O)=O)C(C=1C=CC(=CC1)OC)C=1C=CC(=CC1)OC