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1,8(2H,5H)-acridinedione, 3,4,6,7,9,10-hexahydro-9-(4-iodophenyl)-3,3,6,6-tetramethyl-
SpectraBase Compound ID D31gT3aJjvI
InChI InChI=1S/C23H26INO2/c1-22(2)9-15-20(17(26)11-22)19(13-5-7-14(24)8-6-13)21-16(25-15)10-23(3,4)12-18(21)27/h5-8,19,25H,9-12H2,1-4H3
InChIKey UXLGDGHXDKCLBW-UHFFFAOYSA-N
Mol Weight 475.37 g/mol
Molecular Formula C23H26INO2
Exact Mass 475.100824 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ht8X7u9qxF
Name 1,8(2H,5H)-Acridinedione, 3,4,6,7,9,10-hexahydro-9-(4-iodophenyl)-3,3,6,6-tetramethyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 475.100824079 u
Formula C23H26INO2
InChI InChI=1S/C23H26INO2/c1-22(2)9-15-20(17(26)11-22)19(13-5-7-14(24)8-6-13)21-16(25-15)10-23(3,4)12-18(21)27/h5-8,19,25H,9-12H2,1-4H3
InChIKey UXLGDGHXDKCLBW-UHFFFAOYSA-N
Molecular Weight 475.370 g/mol
SMILES N1C2=C(C(C3=C1CC(CC3=O)(C)C)C=1C=CC(=CC1)I)C(CC(C2)(C)C)=O