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4-Quinolinecarboxylic acid, 2-(4-ethylphenyl)-6-methyl-, 1-benzoylpropyl ester

View entire compound with spectra: 2 NMR

4-Quinolinecarboxylic acid, 2-(4-ethylphenyl)-6-methyl-, 1-benzoylpropyl ester
SpectraBase Compound ID DlfPT9AbRV4
InChI InChI=1S/C29H27NO3/c1-4-20-12-14-21(15-13-20)26-18-24(23-17-19(3)11-16-25(23)30-26)29(32)33-27(5-2)28(31)22-9-7-6-8-10-22/h6-18,27H,4-5H2,1-3H3
InChIKey PWQFSFARZPCUQH-UHFFFAOYSA-N
Mol Weight 437.54 g/mol
Molecular Formula C29H27NO3
Exact Mass 437.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DmVCXFcV5zI
Name 4-Quinolinecarboxylic acid, 2-(4-ethylphenyl)-6-methyl-, 1-benzoylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 437.199093730 u
Formula C29H27NO3
InChI InChI=1S/C29H27NO3/c1-4-20-12-14-21(15-13-20)26-18-24(23-17-19(3)11-16-25(23)30-26)29(32)33-27(5-2)28(31)22-9-7-6-8-10-22/h6-18,27H,4-5H2,1-3H3
InChIKey PWQFSFARZPCUQH-UHFFFAOYSA-N
Molecular Weight 437.539 g/mol
SMILES C=1(C(OC(C(=O)C2=CC=CC=C2)CC)=O)C2=C(C=CC(=C2)C)N=C(C1)C=1C=CC(=CC1)CC