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3-(3-Hydroxyphenyl)-2-phenyl-4(3H)-quinazolinone, tms derivative
SpectraBase Compound ID CQAYaafDqT9
InChI InChI=1S/C23H22N2O2Si/c1-28(2,3)27-19-13-9-12-18(16-19)25-22(17-10-5-4-6-11-17)24-21-15-8-7-14-20(21)23(25)26/h4-16H,1-3H3
InChIKey XRMZOSNTGWDZKP-UHFFFAOYSA-N
Mol Weight 386.53 g/mol
Molecular Formula C23H22N2O2Si
Exact Mass 386.145054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID XYLwaNWxB3
Name 3-(3-Hydroxyphenyl)-2-phenyl-4(3H)-quinazolinone, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 386.145054489 u
Formula C23H22N2O2Si
InChI InChI=1S/C23H22N2O2Si/c1-28(2,3)27-19-13-9-12-18(16-19)25-22(17-10-5-4-6-11-17)24-21-15-8-7-14-20(21)23(25)26/h4-16H,1-3H3
InChIKey XRMZOSNTGWDZKP-UHFFFAOYSA-N
Molecular Weight 386.526 g/mol
SMILES C=1(N(C(C2=C(N1)C=CC=C2)=O)C1=CC(=CC=C1)O[Si](C)(C)C)C1=CC=CC=C1