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Anthraquinone, 1,5-bis(p-methoxyphenoxy)-
SpectraBase Compound ID JIFNTvc64WX
InChI InChI=1S/C28H20O6/c1-31-17-9-13-19(14-10-17)33-23-7-3-5-21-25(23)27(29)22-6-4-8-24(26(22)28(21)30)34-20-15-11-18(32-2)12-16-20/h3-16H,1-2H3
InChIKey QBKIMAHRBOYCNX-UHFFFAOYSA-N
Mol Weight 452.46 g/mol
Molecular Formula C28H20O6
Exact Mass 452.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Kyn8b5tF3e
Name Anthraquinone, 1,5-bis(p-methoxyphenoxy)-
Comments Computed using HOSE algorithm
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Exact Mass 452.125988358 u
Formula C28H20O6
InChI InChI=1S/C28H20O6/c1-31-17-9-13-19(14-10-17)33-23-7-3-5-21-25(23)27(29)22-6-4-8-24(26(22)28(21)30)34-20-15-11-18(32-2)12-16-20/h3-16H,1-2H3
InChIKey QBKIMAHRBOYCNX-UHFFFAOYSA-N
Molecular Weight 452.462 g/mol
SMILES C1(=CC=CC=2C(C=3C(=CC=CC3C(C12)=O)OC1=CC=C(C=C1)OC)=O)OC1=CC=C(C=C1)OC