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2-[1,1'-Biphenyl]-4-yl-4-quinolinecarboxylic acid, tms derivative

View entire compound with spectra: 1 NMR

2-[1,1'-Biphenyl]-4-yl-4-quinolinecarboxylic acid, tms derivative
SpectraBase Compound ID 1bGUcvyT9QK
InChI InChI=1S/C25H23NO2Si/c1-29(2,3)28-25(27)22-17-24(26-23-12-8-7-11-21(22)23)20-15-13-19(14-16-20)18-9-5-4-6-10-18/h4-17H,1-3H3
InChIKey MTZOSUWKTTUJAD-UHFFFAOYSA-N
Mol Weight 397.55 g/mol
Molecular Formula C25H23NO2Si
Exact Mass 397.149806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3xEKiNwwhv6
Name 2-[1,1'-Biphenyl]-4-yl-4-quinolinecarboxylic acid, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 397.149805518 u
Formula C25H23NO2Si
InChI InChI=1S/C25H23NO2Si/c1-29(2,3)28-25(27)22-17-24(26-23-12-8-7-11-21(22)23)20-15-13-19(14-16-20)18-9-5-4-6-10-18/h4-17H,1-3H3
InChIKey MTZOSUWKTTUJAD-UHFFFAOYSA-N
Molecular Weight 397.549 g/mol
SMILES C[Si](C)(C)OC(=O)C1=C2C(=NC(C3=CC=C(C4=CC=CC=C4)C=C3)=C1)C=CC=C2