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4-Methoxy-2'-(phenylethynyl)-1,1':3',1''-terphenyl

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

4-Methoxy-2'-(phenylethynyl)-1,1':3',1''-terphenyl
SpectraBase Compound ID CwhjqJ2pBHF
InChI InChI=1S/C27H20O/c1-28-24-18-16-23(17-19-24)26-14-8-13-25(22-11-6-3-7-12-22)27(26)20-15-21-9-4-2-5-10-21/h2-14,16-19H,1H3
InChIKey GVBAEJLVINQNBX-UHFFFAOYSA-N
Mol Weight 360.46 g/mol
Molecular Formula C27H20O
Exact Mass 360.151415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3s6qu1nHb2R
Name 4-Methoxy-2'-(phenylethynyl)-1,1':3',1''-terphenyl
Comments Computed using HOSE algorithm
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Exact Mass 360.151415263 u
Formula C27H20O
InChI InChI=1S/C27H20O/c1-28-24-18-16-23(17-19-24)26-14-8-13-25(22-11-6-3-7-12-22)27(26)20-15-21-9-4-2-5-10-21/h2-14,16-19H,1H3
InChIKey GVBAEJLVINQNBX-UHFFFAOYSA-N
Molecular Weight 360.456 g/mol
SMILES C=1(C=CC(=CC1)OC)C=1C(=C(C=CC1)C=1C=CC=CC1)C#CC=1C=CC=CC1