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2-Ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-phenyl-1,2,3,4,5,6,7,8,9,10-decahydro-9-acridinyl)phenyl benzoate

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2-Ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-phenyl-1,2,3,4,5,6,7,8,9,10-decahydro-9-acridinyl)phenyl benzoate
SpectraBase Compound ID IKb0ot0k3Z8
InChI InChI=1S/C38H39NO5/c1-6-43-32-19-25(17-18-31(32)44-36(42)24-13-9-7-10-14-24)33-34-27(20-37(2,3)22-29(34)40)39(26-15-11-8-12-16-26)28-21-38(4,5)23-30(41)35(28)33/h7-19,33H,6,20-23H2,1-5H3
InChIKey MQWLBDSRHPVAGS-UHFFFAOYSA-N
Mol Weight 589.7 g/mol
Molecular Formula C38H39NO5
Exact Mass 589.282823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1LxA6sWAzIz
Name 2-Ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-phenyl-1,2,3,4,5,6,7,8,9,10-decahydro-9-acridinyl)phenyl benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 589.282823355 u
Formula C38H39NO5
InChI InChI=1S/C38H39NO5/c1-6-43-32-19-25(17-18-31(32)44-36(42)24-13-9-7-10-14-24)33-34-27(20-37(2,3)22-29(34)40)39(26-15-11-8-12-16-26)28-21-38(4,5)23-30(41)35(28)33/h7-19,33H,6,20-23H2,1-5H3
InChIKey MQWLBDSRHPVAGS-UHFFFAOYSA-N
Molecular Weight 589.732 g/mol
SMILES C12=C(N(C=3C=CC=CC3)C3=C(C1C=1C=C(OCC)C(OC(=O)C4=CC=CC=C4)=CC1)C(CC(C)(C)C3)=O)CC(CC2=O)(C)C