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9-(1,3-benzodioxol-5-yl)-10-(4-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione

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9-(1,3-benzodioxol-5-yl)-10-(4-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
SpectraBase Compound ID LxDT0mRie87
InChI InChI=1S/C31H33NO5/c1-30(2)13-21-28(23(33)15-30)27(18-6-11-25-26(12-18)37-17-36-25)29-22(14-31(3,4)16-24(29)34)32(21)19-7-9-20(35-5)10-8-19/h6-12,27H,13-17H2,1-5H3
InChIKey FGQPHLLMLBCMCK-UHFFFAOYSA-N
Mol Weight 499.6 g/mol
Molecular Formula C31H33NO5
Exact Mass 499.235873 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8MyKfIOdMby
Name 9-(1,3-Benzodioxol-5-yl)-10-(4-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 499.235873162 u
Formula C31H33NO5
InChI InChI=1S/C31H33NO5/c1-30(2)13-21-28(23(33)15-30)27(18-6-11-25-26(12-18)37-17-36-25)29-22(14-31(3,4)16-24(29)34)32(21)19-7-9-20(35-5)10-8-19/h6-12,27H,13-17H2,1-5H3
InChIKey FGQPHLLMLBCMCK-UHFFFAOYSA-N
Molecular Weight 499.607 g/mol
SMILES C12=C(N(C3=CC=C(C=C3)OC)C3=C(C1C=1C=C4OCOC4=CC1)C(CC(C)(C)C3)=O)CC(CC2=O)(C)C