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1-[[4,5-BIS-(HEXYLOXY)-9,10-DIOXO-9,10-DIHYDRO-ANTHRACEN-2-YL]-METHYL]-PYRIMIDINE-2,4(1H,3H)-DIONE
SpectraBase Compound ID 3roCSm8N7On
InChI InChI=1S/C31H36N2O6/c1-3-5-7-9-16-38-24-13-11-12-22-27(24)30(36)28-23(29(22)35)18-21(19-25(28)39-17-10-8-6-4-2)20-33-15-14-26(34)32-31(33)37/h11-15,18-19H,3-10,16-17,20H2,1-2H3,(H,32,34,37)
InChIKey HAKIKLAGJWPXOI-UHFFFAOYSA-N
Mol Weight 532.6 g/mol
Molecular Formula C31H36N2O6
Exact Mass 532.257337 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LZLRwoa9Jdy
Name 1-[[4,5-BIS-(HEXYLOXY)-9,10-DIOXO-9,10-DIHYDRO-ANTHRACEN-2-YL]-METHYL]-PYRIMIDINE-2,4(1H,3H)-DIONE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H36N2O6
InChI InChI=1S/C31H36N2O6/c1-3-5-7-9-16-38-24-13-11-12-22-27(24)30(36)28-23(29(22)35)18-21(19-25(28)39-17-10-8-6-4-2)20-33-15-14-26(34)32-31(33)37/h11-15,18-19H,3-10,16-17,20H2,1-2H3,(H,32,34,37)
InChIKey HAKIKLAGJWPXOI-UHFFFAOYSA-N
Literature Reference Author X.R.CUI,R.SAITO,T.KUBO,D.KON,Y.HIRANO,S.SAITO
Literature Reference Citation CHEM.PHARM.BULL.,59,302(2011)
Literature Reference DOI 10.1248/cpb.59.302
Molecular Weight 532.637 g/mol
Sample ID 2706
Solvent CDCl3