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1,3,5-Tris(1.3-diphenylprop-2-ylcarbonyl)benzene

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1,3,5-Tris(1.3-diphenylprop-2-ylcarbonyl)benzene
SpectraBase Compound ID ElhYYJIR6HS
InChI InChI=1S/C54H48O3/c55-52(46(31-40-19-7-1-8-20-40)32-41-21-9-2-10-22-41)49-37-50(53(56)47(33-42-23-11-3-12-24-42)34-43-25-13-4-14-26-43)39-51(38-49)54(57)48(35-44-27-15-5-16-28-44)36-45-29-17-6-18-30-45/h1-30,37-39,46-48H,31-36H2
InChIKey RAFZABVRSMRCNX-UHFFFAOYSA-N
Mol Weight 745.0 g/mol
Molecular Formula C54H48O3
Exact Mass 744.360345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1GRSYO9EAoS
Name 1,3,5-Tris(1.3-diphenylprop-2-ylcarbonyl)benzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 744.360345403 u
Formula C54H48O3
InChI InChI=1S/C54H48O3/c55-52(46(31-40-19-7-1-8-20-40)32-41-21-9-2-10-22-41)49-37-50(53(56)47(33-42-23-11-3-12-24-42)34-43-25-13-4-14-26-43)39-51(38-49)54(57)48(35-44-27-15-5-16-28-44)36-45-29-17-6-18-30-45/h1-30,37-39,46-48H,31-36H2
InChIKey RAFZABVRSMRCNX-UHFFFAOYSA-N
Molecular Weight 744.975 g/mol
SMILES C=1(C(C(CC=2C=CC=CC2)CC=2C=CC=CC2)=O)C=C(C(C(CC=2C=CC=CC2)CC2=CC=CC=C2)=O)C=C(C1)C(C(CC1=CC=CC=C1)CC1=CC=CC=C1)=O