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Dibenzo[a,j]coronene

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Dibenzo[a,j]coronene
SpectraBase Compound ID HcB8aQPIoVE
InChI InChI=1S/C32H16/c1-2-6-20-19(5-1)23-13-9-17-11-15-25-21-7-3-4-8-22(21)26-16-12-18-10-14-24(20)30-28(18)32(26)31(25)27(17)29(23)30/h1-16H
InChIKey HHCCABYUXOGSCO-UHFFFAOYSA-N
Mol Weight 400.5 g/mol
Molecular Formula C32H16
Exact Mass 400.125201 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EIEYBrfVRPy
Name Dibenzo[A,J]coronene
Comments Computed using HOSE algorithm
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Exact Mass 400.125200515 u
Formula C32H16
InChI InChI=1S/C32H16/c1-2-6-20-19(5-1)23-13-9-17-11-15-25-21-7-3-4-8-22(21)26-16-12-18-10-14-24(20)30-28(18)32(26)31(25)27(17)29(23)30/h1-16H
InChIKey HHCCABYUXOGSCO-UHFFFAOYSA-N
Molecular Weight 400.480 g/mol
SMILES C1=2C(C3=C4C=5C1=CC=C1C5C5=C(C6=CC=CC=C6C=6C5=C4C(=CC6)C=C3)C=C1)=CC=CC2