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Naphthalene, 1,8-bis[4-[(4-methylphenyl)ethynyl]phenyl]-
SpectraBase Compound ID 3gHbFfb4YfW
InChI InChI=1S/C40H28/c1-29-9-13-31(14-10-29)17-19-33-21-25-35(26-22-33)38-7-3-5-37-6-4-8-39(40(37)38)36-27-23-34(24-28-36)20-18-32-15-11-30(2)12-16-32/h3-16,21-28H,1-2H3
InChIKey UVOAPGCUODHHFI-UHFFFAOYSA-N
Mol Weight 508.7 g/mol
Molecular Formula C40H28
Exact Mass 508.219101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GXiibJpGkzV
Name Naphthalene, 1,8-bis[4-[(4-methylphenyl)ethynyl]phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 508.219100902 u
Formula C40H28
InChI InChI=1S/C40H28/c1-29-9-13-31(14-10-29)17-19-33-21-25-35(26-22-33)38-7-3-5-37-6-4-8-39(40(37)38)36-27-23-34(24-28-36)20-18-32-15-11-30(2)12-16-32/h3-16,21-28H,1-2H3
InChIKey UVOAPGCUODHHFI-UHFFFAOYSA-N
Molecular Weight 508.664 g/mol
SMILES C1=CC(=C2C(=C1)C=CC=C2C=1C=CC(=CC1)C#CC=1C=CC(=CC1)C)C=1C=CC(=CC1)C#CC=1C=CC(=CC1)C