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2-(4-Bromophenyl)-2-oxoethyl 2-(5-tert-butyl-2,3-dimethylphenyl)-6-methyl-4-quinolinecarboxylate
SpectraBase Compound ID Ce5n24MZq9g
InChI InChI=1S/C31H30BrNO3/c1-18-7-12-27-25(13-18)26(30(35)36-17-29(34)21-8-10-23(32)11-9-21)16-28(33-27)24-15-22(31(4,5)6)14-19(2)20(24)3/h7-16H,17H2,1-6H3
InChIKey CRAGKVDNILHMFT-UHFFFAOYSA-N
Mol Weight 544.49 g/mol
Molecular Formula C31H30BrNO3
Exact Mass 543.140907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CcD1AsRHeAT
Name 2-(4-Bromophenyl)-2-oxoethyl 2-(5-tert-butyl-2,3-dimethylphenyl)-6-methyl-4-quinolinecarboxylate
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Formula C31H30BrNO3
InChI InChI=1S/C31H30BrNO3/c1-18-7-12-27-25(13-18)26(30(35)36-17-29(34)21-8-10-23(32)11-9-21)16-28(33-27)24-15-22(31(4,5)6)14-19(2)20(24)3/h7-16H,17H2,1-6H3
InChIKey CRAGKVDNILHMFT-UHFFFAOYSA-N
Molecular Weight 544.489 g/mol
SMILES c1(-c2cc(C(C)(C)C)cc(c2C)C)nc2ccc(cc2c(c1)C(OCC(c1ccc(cc1)Br)=O)=O)C
SPLASH splash10-001s-3980200000-840ac9ee5ae17ec16261
Synonyms 2-(5-tert-butyl-2,3-dimethyl-phenyl)-6-methyl-quinoline-4-carboxylic acid 2-(4-bromo-phenyl)-2-oxo-ethyl ester
Wiley ID 1454486