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2-[4-(Benzyloxy)phenyl]-3-methyl-4-quinolinecarboxylic acid
SpectraBase Compound ID FzxYAeOV88G
InChI InChI=1S/C24H19NO3/c1-16-22(24(26)27)20-9-5-6-10-21(20)25-23(16)18-11-13-19(14-12-18)28-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,26,27)
InChIKey JRJOPURIBFBFLL-UHFFFAOYSA-N
Mol Weight 369.42 g/mol
Molecular Formula C24H19NO3
Exact Mass 369.136493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6H6MgYKKjys
Name 2-[4-(Benzyloxy)phenyl]-3-methyl-4-quinolinecarboxylic acid
Comments Computed using HOSE algorithm
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Exact Mass 369.136493473 u
Formula C24H19NO3
InChI InChI=1S/C24H19NO3/c1-16-22(24(26)27)20-9-5-6-10-21(20)25-23(16)18-11-13-19(14-12-18)28-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,26,27)
InChIKey JRJOPURIBFBFLL-UHFFFAOYSA-N
Molecular Weight 369.420 g/mol
SMILES OC(C1=C2C(=NC(=C1C)C1=CC=C(OCC3=CC=CC=C3)C=C1)C=CC=C2)=O