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1,5-Di-p-tolyl-anthraquinone

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

1,5-Di-p-tolyl-anthraquinone
SpectraBase Compound ID Jn8muyhSmOL
InChI InChI=1S/C28H20O2/c1-17-9-13-19(14-10-17)21-5-3-7-23-25(21)27(29)24-8-4-6-22(26(24)28(23)30)20-15-11-18(2)12-16-20/h3-16H,1-2H3
InChIKey MYSNLNAYGRQZSG-UHFFFAOYSA-N
Mol Weight 388.47 g/mol
Molecular Formula C28H20O2
Exact Mass 388.14633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EqrKvaBbdUS
Name 1,5-di-p-Tolyl-anthraquinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.146329882 u
Formula C28H20O2
InChI InChI=1S/C28H20O2/c1-17-9-13-19(14-10-17)21-5-3-7-23-25(21)27(29)24-8-4-6-22(26(24)28(23)30)20-15-11-18(2)12-16-20/h3-16H,1-2H3
InChIKey MYSNLNAYGRQZSG-UHFFFAOYSA-N
Molecular Weight 388.466 g/mol
SMILES C12=C(C(C=3C(C2=O)=CC=CC3C2=CC=C(C)C=C2)=O)C=CC=C1C1=CC=C(C=C1)C