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2-(2-(Phenylethynyl)-[1,1'-biphenyl]-3-yl)naphthalene

View entire compound with spectra: 2 NMR, and 1 MS (GC)

2-(2-(Phenylethynyl)-[1,1'-biphenyl]-3-yl)naphthalene
SpectraBase Compound ID B5kCQHfevDJ
InChI InChI=1S/C30H20/c1-3-10-23(11-4-1)18-21-30-28(25-13-5-2-6-14-25)16-9-17-29(30)27-20-19-24-12-7-8-15-26(24)22-27/h1-17,19-20,22H
InChIKey VESJWWONOHJDIH-UHFFFAOYSA-N
Mol Weight 380.49 g/mol
Molecular Formula C30H20
Exact Mass 380.156501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID QlGS8trTsh
Name 2-(2-(Phenylethynyl)-[1,1'-biphenyl]-3-yl)naphthalene
Comments Computed using HOSE algorithm
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Exact Mass 380.156500644 u
Formula C30H20
InChI InChI=1S/C30H20/c1-3-10-23(11-4-1)18-21-30-28(25-13-5-2-6-14-25)16-9-17-29(30)27-20-19-24-12-7-8-15-26(24)22-27/h1-17,19-20,22H
InChIKey VESJWWONOHJDIH-UHFFFAOYSA-N
Molecular Weight 380.490 g/mol
SMILES C=1C(=CC=C2C=CC=CC12)C1=C(C(=CC=C1)C=1C=CC=CC1)C#CC=1C=CC=CC1