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7,14-bis(p-Ethylphenyl)acenaphtho[1,2-K]fluoranthene
SpectraBase Compound ID CywKcSNd66I
InChI InChI=1S/C42H30/c1-3-25-17-21-29(22-18-25)37-39-31-13-5-9-27-11-7-15-33(35(27)31)41(39)38(30-23-19-26(4-2)20-24-30)42-34-16-8-12-28-10-6-14-32(36(28)34)40(37)42/h5-24H,3-4H2,1-2H3
InChIKey FMSOVFVRYLLKJC-UHFFFAOYSA-N
Mol Weight 534.7 g/mol
Molecular Formula C42H30
Exact Mass 534.234751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JVsOJxaY5rX
Name 7,14-bis(p-Ethylphenyl)acenaphtho[1,2-K]fluoranthene
Comments Computed using HOSE algorithm
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Exact Mass 534.234750966 u
Formula C42H30
InChI InChI=1S/C42H30/c1-3-25-17-21-29(22-18-25)37-39-31-13-5-9-27-11-7-15-33(35(27)31)41(39)38(30-23-19-26(4-2)20-24-30)42-34-16-8-12-28-10-6-14-32(36(28)34)40(37)42/h5-24H,3-4H2,1-2H3
InChIKey FMSOVFVRYLLKJC-UHFFFAOYSA-N
Molecular Weight 534.702 g/mol
SMILES C1=2C(=C3C=4C=CC=C5C4C(C3=C(C2C2=CC=CC=3C2=C1C=CC3)C=1C=CC(=CC1)CC)=CC=C5)C=1C=CC(=CC1)CC