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9-(4-butoxy-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-butoxy-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
SpectraBase Compound ID 5WX5BiMip7X
InChI InChI=1S/C28H37NO4/c1-7-8-11-33-22-10-9-17(12-23(22)32-6)24-25-18(13-27(2,3)15-20(25)30)29-19-14-28(4,5)16-21(31)26(19)24/h9-10,12,24,29H,7-8,11,13-16H2,1-6H3
InChIKey WAZJWXALBYJWJK-UHFFFAOYSA-N
Mol Weight 451.6 g/mol
Molecular Formula C28H37NO4
Exact Mass 451.272259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6MBWfbl9No4
Name 9-(4-Butoxy-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 451.272258671 u
Formula C28H37NO4
InChI InChI=1S/C28H37NO4/c1-7-8-11-33-22-10-9-17(12-23(22)32-6)24-25-18(13-27(2,3)15-20(25)30)29-19-14-28(4,5)16-21(31)26(19)24/h9-10,12,24,29H,7-8,11,13-16H2,1-6H3
InChIKey WAZJWXALBYJWJK-UHFFFAOYSA-N
Molecular Weight 451.607 g/mol
SMILES N1C2=C(C(C3=C1CC(CC3=O)(C)C)C1=CC(OC)=C(C=C1)OCCCC)C(CC(C2)(C)C)=O