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1,2,3,4,5,6,7-Heptaphenylcyclohepta-1,3,5-triene

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1,2,3,4,5,6,7-Heptaphenylcyclohepta-1,3,5-triene
SpectraBase Compound ID 15nzBmJJQ9c
InChI InChI=1S/C49H36/c1-8-22-36(23-9-1)43-44(37-24-10-2-11-25-37)46(39-28-14-4-15-29-39)48(41-32-18-6-19-33-41)49(42-34-20-7-21-35-42)47(40-30-16-5-17-31-40)45(43)38-26-12-3-13-27-38/h1-35,43H
InChIKey OJFAIVHEAYHXBX-UHFFFAOYSA-N
Mol Weight 624.8 g/mol
Molecular Formula C49H36
Exact Mass 624.281701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GQEJTUS0G4X
Name 1,2,3,4,5,6,7-Heptaphenylcyclohepta-1,3,5-triene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 624.281701159 u
Formula C49H36
InChI InChI=1S/C49H36/c1-8-22-36(23-9-1)43-44(37-24-10-2-11-25-37)46(39-28-14-4-15-29-39)48(41-32-18-6-19-33-41)49(42-34-20-7-21-35-42)47(40-30-16-5-17-31-40)45(43)38-26-12-3-13-27-38/h1-35,43H
InChIKey OJFAIVHEAYHXBX-UHFFFAOYSA-N
Molecular Weight 624.827 g/mol
SMILES C1(=C(C(C(C2=CC=CC=C2)=C(C(=C1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1