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

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9-(1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-10-phenyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
SpectraBase Compound ID ItUPb0KQ7yY
InChI InChI=1S/C30H31NO4/c1-29(2)13-20-27(22(32)15-29)26(18-10-11-24-25(12-18)35-17-34-24)28-21(14-30(3,4)16-23(28)33)31(20)19-8-6-5-7-9-19/h5-12,26H,13-17H2,1-4H3
InChIKey YUTJVRSFDAGNNZ-UHFFFAOYSA-N
Mol Weight 469.58 g/mol
Molecular Formula C30H31NO4
Exact Mass 469.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7DxUoQ9Mgs9
Name 9-(1,3-Benzodioxol-5-yl)-3,3,6,6-tetramethyl-10-phenyl-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 469.225308478 u
Formula C30H31NO4
InChI InChI=1S/C30H31NO4/c1-29(2)13-20-27(22(32)15-29)26(18-10-11-24-25(12-18)35-17-34-24)28-21(14-30(3,4)16-23(28)33)31(20)19-8-6-5-7-9-19/h5-12,26H,13-17H2,1-4H3
InChIKey YUTJVRSFDAGNNZ-UHFFFAOYSA-N
Molecular Weight 469.581 g/mol
SMILES C12=C(N(C3=CC=CC=C3)C3=C(C1C=1C=C4OCOC4=CC1)C(CC(C)(C)C3)=O)CC(CC2=O)(C)C