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2-(4-Propoxyphenyl)-4-quinolinecarboxylic acid, tms derivative
SpectraBase Compound ID Jt5B1lojpIG
InChI InChI=1S/C22H25NO3Si/c1-5-14-25-17-12-10-16(11-13-17)21-15-19(22(24)26-27(2,3)4)18-8-6-7-9-20(18)23-21/h6-13,15H,5,14H2,1-4H3
InChIKey BNCPCVYQVLSMTB-UHFFFAOYSA-N
Mol Weight 379.53 g/mol
Molecular Formula C22H25NO3Si
Exact Mass 379.16037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JO4Gttr0Ysr
Name 2-(4-Propoxyphenyl)-4-quinolinecarboxylic acid, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 379.160370201 u
Formula C22H25NO3Si
InChI InChI=1S/C22H25NO3Si/c1-5-14-25-17-12-10-16(11-13-17)21-15-19(22(24)26-27(2,3)4)18-8-6-7-9-20(18)23-21/h6-13,15H,5,14H2,1-4H3
InChIKey BNCPCVYQVLSMTB-UHFFFAOYSA-N
Molecular Weight 379.531 g/mol
SMILES C12=NC(=CC(=C2C=CC=C1)C(=O)O[Si](C)(C)C)C1=CC=C(C=C1)OCCC