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Phenanthro[9,10-b]triphenylene, 9,18-diphenyl-, (.+-.)-

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Phenanthro[9,10-b]triphenylene, 9,18-diphenyl-, (.+-.)-
SpectraBase Compound ID 5fVaab0NRif
InChI InChI=1S/C42H26/c1-3-15-27(16-4-1)37-39-33-23-11-7-19-29(33)31-21-9-13-25-35(31)41(39)38(28-17-5-2-6-18-28)42-36-26-14-10-22-32(36)30-20-8-12-24-34(30)40(37)42/h1-26H
InChIKey LGSIHMILCIXKAV-UHFFFAOYSA-N
Mol Weight 530.7 g/mol
Molecular Formula C42H26
Exact Mass 530.203451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8oMF9sWE4Gz
Name Phenanthro[9,10-B]triphenylene, 9,18-diphenyl-, (.+-.)-
Comments Computed using HOSE algorithm
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Exact Mass 530.203450837 u
Formula C42H26
InChI InChI=1S/C42H26/c1-3-15-27(16-4-1)37-39-33-23-11-7-19-29(33)31-21-9-13-25-35(31)41(39)38(28-17-5-2-6-18-28)42-36-26-14-10-22-32(36)30-20-8-12-24-34(30)40(37)42/h1-26H
InChIKey LGSIHMILCIXKAV-UHFFFAOYSA-N
Molecular Weight 530.670 g/mol
SMILES C1=2C(C(C3=CC=CC=C3)=C3C(=C1C=1C=CC=CC1)C=1C(C4=CC=CC=C34)=CC=CC1)=C1C=CC=CC1=C1C2C=CC=C1