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9,10-Bis(4-hexylphenyl)phenanthrene

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9,10-Bis(4-hexylphenyl)phenanthrene
SpectraBase Compound ID LGg4wsiYiEm
InChI InChI=1S/C38H42/c1-3-5-7-9-15-29-21-25-31(26-22-29)37-35-19-13-11-17-33(35)34-18-12-14-20-36(34)38(37)32-27-23-30(24-28-32)16-10-8-6-4-2/h11-14,17-28H,3-10,15-16H2,1-2H3
InChIKey NOLYFFJFNIDERR-UHFFFAOYSA-N
Mol Weight 498.8 g/mol
Molecular Formula C38H42
Exact Mass 498.328651 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4qoc2EWnBT5
Name 9,10-bis(4-Hexylphenyl)phenanthrene
Comments Computed using HOSE algorithm
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Exact Mass 498.328651352 u
Formula C38H42
InChI InChI=1S/C38H42/c1-3-5-7-9-15-29-21-25-31(26-22-29)37-35-19-13-11-17-33(35)34-18-12-14-20-36(34)38(37)32-27-23-30(24-28-32)16-10-8-6-4-2/h11-14,17-28H,3-10,15-16H2,1-2H3
InChIKey NOLYFFJFNIDERR-UHFFFAOYSA-N
Molecular Weight 498.754 g/mol
SMILES C1(=C(C2=CC=CC=C2C=2C1=CC=CC2)C1=CC=C(C=C1)CCCCCC)C=1C=CC(=CC1)CCCCCC