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Phenyl(2,2''-diethoxy[1,1';2',1'']terphenyl-4'-yl)methanone
SpectraBase Compound ID 64036I5ZsDf
InChI InChI=1S/C29H26O3/c1-3-31-27-16-10-8-14-24(27)23-19-18-22(29(30)21-12-6-5-7-13-21)20-26(23)25-15-9-11-17-28(25)32-4-2/h5-20H,3-4H2,1-2H3
InChIKey JOXBMRLHGZLSBA-UHFFFAOYSA-N
Mol Weight 422.52 g/mol
Molecular Formula C29H26O3
Exact Mass 422.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H3HjiKTITQu
Name Phenyl(2,2''-diethoxy[1,1';2',1'']terphenyl-4'-yl)methanone
Comments Computed using HOSE algorithm
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Exact Mass 422.188194694 u
Formula C29H26O3
InChI InChI=1S/C29H26O3/c1-3-31-27-16-10-8-14-24(27)23-19-18-22(29(30)21-12-6-5-7-13-21)20-26(23)25-15-9-11-17-28(25)32-4-2/h5-20H,3-4H2,1-2H3
InChIKey JOXBMRLHGZLSBA-UHFFFAOYSA-N
Molecular Weight 422.524 g/mol
SMILES C=1(C(C=2C(OCC)=CC=CC2)=CC=C(C1)C(=O)C=1C=CC=CC1)C=1C(OCC)=CC=CC1