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2-(3-Nitrophenyl)-4-quinolinecarboxylic acid, tms derivative
SpectraBase Compound ID DzrqtEBDPjl
InChI InChI=1S/C19H18N2O4Si/c1-26(2,3)25-19(22)16-12-18(20-17-10-5-4-9-15(16)17)13-7-6-8-14(11-13)21(23)24/h4-12H,1-3H3
InChIKey OVYSBTVTAYMXGM-UHFFFAOYSA-N
Mol Weight 366.45 g/mol
Molecular Formula C19H18N2O4Si
Exact Mass 366.103584 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FrY4Srpczd4
Name 2-(3-Nitrophenyl)-4-quinolinecarboxylic acid, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 366.103583599 u
Formula C19H18N2O4Si
InChI InChI=1S/C19H18N2O4Si/c1-26(2,3)25-19(22)16-12-18(20-17-10-5-4-9-15(16)17)13-7-6-8-14(11-13)21(23)24/h4-12H,1-3H3
InChIKey OVYSBTVTAYMXGM-UHFFFAOYSA-N
Molecular Weight 366.448 g/mol
SMILES C1(N(=O)=O)=CC(=CC=C1)C1=NC2=C(C(=C1)C(=O)O[Si](C)(C)C)C=CC=C2