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Tribenzo[de,h,kl]naphtho[1,2,3,4-rst]pentaphene
SpectraBase Compound ID F2P2qlVL4gr
InChI InChI=1S/C38H20/c1-2-14-24-23(13-1)33-27-17-5-9-21-10-7-19-29(31(21)27)35-25-15-3-4-16-26(25)36-30-20-8-12-22-11-6-18-28(32(22)30)34(24)38(36)37(33)35/h1-20H
InChIKey SZPCSERRBCRIJE-UHFFFAOYSA-N
Mol Weight 476.6 g/mol
Molecular Formula C38H20
Exact Mass 476.156501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7McYvu1lVz1
Name Tribenzo[de,H,kl]naphtho[1,2,3,4-rst]pentaphene
Comments Computed using HOSE algorithm
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Exact Mass 476.156500644 u
Formula C38H20
InChI InChI=1S/C38H20/c1-2-14-24-23(13-1)33-27-17-5-9-21-10-7-19-29(31(21)27)35-25-15-3-4-16-26(25)36-30-20-8-12-22-11-6-18-28(32(22)30)34(24)38(36)37(33)35/h1-20H
InChIKey SZPCSERRBCRIJE-UHFFFAOYSA-N
Molecular Weight 476.578 g/mol
SMILES C=1C2=C3C(=CC=C2)C=2C4=C(C=CC=C4)C4=C5C2C(=C2C(=C5C5=C6C4=CC=CC6=CC=C5)C=CC=C2)C3=CC1