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Bis[(2.3)paracyclophano][1,2-b:1',2'-i]anthraquinone

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Bis[(2.3)paracyclophano][1,2-b:1',2'-i]anthraquinone
SpectraBase Compound ID FFpFgV0LSC1
InChI InChI=1S/C44H32O2/c45-43-39-23-35-31-15-7-27(8-16-31)3-1-4-28-9-17-32(18-10-28)36(35)24-40(39)44(46)42-26-38-34-21-13-30(14-22-34)6-2-5-29-11-19-33(20-12-29)37(38)25-41(42)43/h7-26H,1-6H2
InChIKey JCYAFNFWJLUIED-UHFFFAOYSA-N
Mol Weight 592.7 g/mol
Molecular Formula C44H32O2
Exact Mass 592.24023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8oaa6kjAdXs
Name bis[(2.3)Paracyclophano][1,2-B:1',2'-I]anthraquinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 592.240230268 u
Formula C44H32O2
InChI InChI=1S/C44H32O2/c45-43-39-23-35-31-15-7-27(8-16-31)3-1-4-28-9-17-32(18-10-28)36(35)24-40(39)44(46)42-26-38-34-21-13-30(14-22-34)6-2-5-29-11-19-33(20-12-29)37(38)25-41(42)43/h7-26H,1-6H2
InChIKey JCYAFNFWJLUIED-UHFFFAOYSA-N
Molecular Weight 592.738 g/mol
SMILES C1=CC=2C3=CC=4C(=O)C5=CC=6C7=CC=C(C=C7)CCCC7=CC=C(C6C=C5C(C4C=C3C3=CC=C(CCCC1=CC2)C=C3)=O)C=C7