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2,2'-bis(4-(piperidin-1-yl)phenyl)-1H,1'H-[2,2'-biindene]-1,1',3,3'(2H,2'H)-tetraone

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2,2'-bis(4-(piperidin-1-yl)phenyl)-1H,1'H-[2,2'-biindene]-1,1',3,3'(2H,2'H)-tetraone
SpectraBase Compound ID 57u0bOJyWir
InChI InChI=1S/C40H36N2O4/c43-35-31-11-3-4-12-32(31)36(44)39(35,27-15-19-29(20-16-27)41-23-7-1-8-24-41)40(37(45)33-13-5-6-14-34(33)38(40)46)28-17-21-30(22-18-28)42-25-9-2-10-26-42/h3-6,11-22H,1-2,7-10,23-26H2
InChIKey MEOZQLVLVRIILP-UHFFFAOYSA-N
Mol Weight 608.7 g/mol
Molecular Formula C40H36N2O4
Exact Mass 608.267508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5pZGKSQ0G92
Name 2,2'-bis(4-(Piperidin-1-yl)phenyl)-1H,1'H-[2,2'-biindene]-1,1',3,3'(2H,2'H)-tetraone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 608.267507643 u
Formula C40H36N2O4
InChI InChI=1S/C40H36N2O4/c43-35-31-11-3-4-12-32(31)36(44)39(35,27-15-19-29(20-16-27)41-23-7-1-8-24-41)40(37(45)33-13-5-6-14-34(33)38(40)46)28-17-21-30(22-18-28)42-25-9-2-10-26-42/h3-6,11-22H,1-2,7-10,23-26H2
InChIKey MEOZQLVLVRIILP-UHFFFAOYSA-N
Molecular Weight 608.738 g/mol
SMILES C1(C2(C(C=3C=CC=CC3C2=O)=O)C=2C=CC(N3CCCCC3)=CC2)(C(C=2C=CC=CC2C1=O)=O)C1=CC=C(N2CCCCC2)C=C1