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Quinoline-6-carboxylic acid, heptadecyl ester

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Quinoline-6-carboxylic acid, heptadecyl ester
SpectraBase Compound ID AScU9JCeyVV
InChI InChI=1S/C27H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-30-27(29)25-19-20-26-24(23-25)18-17-21-28-26/h17-21,23H,2-16,22H2,1H3
InChIKey GDPWVIGJMXWHMM-UHFFFAOYSA-N
Mol Weight 411.6 g/mol
Molecular Formula C27H41NO2
Exact Mass 411.31373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HOjc81Lep1U
Name Quinoline-6-carboxylic acid, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 411.313729562 u
Formula C27H41NO2
InChI InChI=1S/C27H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-30-27(29)25-19-20-26-24(23-25)18-17-21-28-26/h17-21,23H,2-16,22H2,1H3
InChIKey GDPWVIGJMXWHMM-UHFFFAOYSA-N
Molecular Weight 411.630 g/mol
SMILES C12=CC=C(C=C2C=CC=N1)C(OCCCCCCCCCCCCCCCCC)=O