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6-Chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid, methyl ester

View entire compound with spectra: 1 NMR

6-Chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid, methyl ester
SpectraBase Compound ID 4l8IpiuiDSl
InChI InChI=1S/C18H14ClNO2/c1-11-4-3-5-12(8-11)17-10-15(18(21)22-2)14-9-13(19)6-7-16(14)20-17/h3-10H,1-2H3
InChIKey GCXJLKVWRHATCA-UHFFFAOYSA-N
Mol Weight 311.77 g/mol
Molecular Formula C18H14ClNO2
Exact Mass 311.071306 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DhfLh3a0dr3
Name 6-Chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 311.071306393 u
Formula C18H14ClNO2
InChI InChI=1S/C18H14ClNO2/c1-11-4-3-5-12(8-11)17-10-15(18(21)22-2)14-9-13(19)6-7-16(14)20-17/h3-10H,1-2H3
InChIKey GCXJLKVWRHATCA-UHFFFAOYSA-N
Molecular Weight 311.768 g/mol
SMILES C1(=NC=2C(C(=C1)C(=O)OC)=CC(=CC2)Cl)C1=CC(=CC=C1)C