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2-(4-Bromophenyl)-8-methyl-4-quinolinecarboxylic acid, o-tms

View entire compound with spectra: 1 NMR

2-(4-Bromophenyl)-8-methyl-4-quinolinecarboxylic acid, o-tms
SpectraBase Compound ID JeOPV9uaUUo
InChI InChI=1S/C20H20BrNO2Si/c1-13-6-5-7-16-17(20(23)24-25(2,3)4)12-18(22-19(13)16)14-8-10-15(21)11-9-14/h5-12H,1-4H3
InChIKey YPLBHHIGFNFUNL-UHFFFAOYSA-N
Mol Weight 414.37 g/mol
Molecular Formula C20H20BrNO2Si
Exact Mass 413.044668 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LBVG7xT4XN9
Name 2-(4-Bromophenyl)-8-methyl-4-quinolinecarboxylic acid, o-tms
Comments Computed using HOSE algorithm
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Exact Mass 413.044668421 u
Formula C20H20BrNO2Si
InChI InChI=1S/C20H20BrNO2Si/c1-13-6-5-7-16-17(20(23)24-25(2,3)4)12-18(22-19(13)16)14-8-10-15(21)11-9-14/h5-12H,1-4H3
InChIKey YPLBHHIGFNFUNL-UHFFFAOYSA-N
Molecular Weight 414.374 g/mol
SMILES C(O[Si](C)(C)C)(=O)C1=C2C(=NC(=C1)C1=CC=C(C=C1)Br)C(C)=CC=C2