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9-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione

View entire compound with spectra: 2 NMR

9-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
SpectraBase Compound ID hwps3ylnj7
InChI InChI=1S/C31H34ClNO4/c1-30(2)13-21-28(23(34)15-30)27(29-22(33-21)14-31(3,4)16-24(29)35)18-10-11-25(26(12-18)36-5)37-17-19-8-6-7-9-20(19)32/h6-12,27,33H,13-17H2,1-5H3
InChIKey ZWYFPSVHVOFZFS-UHFFFAOYSA-N
Mol Weight 520.1 g/mol
Molecular Formula C31H34ClNO4
Exact Mass 519.217636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BSbZcMr2px2
Name 9-{4-[(2-Chlorobenzyl)oxy]-3-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 519.217636275 u
Formula C31H34ClNO4
InChI InChI=1S/C31H34ClNO4/c1-30(2)13-21-28(23(34)15-30)27(29-22(33-21)14-31(3,4)16-24(29)35)18-10-11-25(26(12-18)36-5)37-17-19-8-6-7-9-20(19)32/h6-12,27,33H,13-17H2,1-5H3
InChIKey ZWYFPSVHVOFZFS-UHFFFAOYSA-N
Molecular Weight 520.069 g/mol
SMILES N1C2=C(C(C=3C(CC(CC13)(C)C)=O)C=1C=C(OC)C(=CC1)OCC=1C(Cl)=CC=CC1)C(CC(C2)(C)C)=O