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2-(4-butoxyphenyl)-N-(3,4-dichlorobenzyl)-4-quinolinecarboxamide

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2-(4-butoxyphenyl)-N-(3,4-dichlorobenzyl)-4-quinolinecarboxamide
SpectraBase Compound ID 3TJ9E6AC3Ph
InChI InChI=1S/C27H24Cl2N2O2/c1-2-3-14-33-20-11-9-19(10-12-20)26-16-22(21-6-4-5-7-25(21)31-26)27(32)30-17-18-8-13-23(28)24(29)15-18/h4-13,15-16H,2-3,14,17H2,1H3,(H,30,32)
InChIKey NUPAIFAWJLGZDH-UHFFFAOYSA-N
Mol Weight 479.41 g/mol
Molecular Formula C27H24Cl2N2O2
Exact Mass 478.121483 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JU1T0mTOkdK
Name 2-(4-Butoxyphenyl)-N-(3,4-dichlorobenzyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 478.121483419 u
Formula C27H24Cl2N2O2
InChI InChI=1S/C27H24Cl2N2O2/c1-2-3-14-33-20-11-9-19(10-12-20)26-16-22(21-6-4-5-7-25(21)31-26)27(32)30-17-18-8-13-23(28)24(29)15-18/h4-13,15-16H,2-3,14,17H2,1H3,(H,30,32)
InChIKey NUPAIFAWJLGZDH-UHFFFAOYSA-N
Molecular Weight 479.407 g/mol
SMILES N(CC1=CC(=C(C=C1)Cl)Cl)C(C1=CC(C2=CC=C(C=C2)OCCCC)=NC=2C1=CC=CC2)=O