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2-(4-Bromophenyl)-2-oxoethyl 2-methyl-3-(phenylsulfanyl)-4-quinolinecarboxylate

View entire compound with spectra: 1 MS (GC)

2-(4-Bromophenyl)-2-oxoethyl 2-methyl-3-(phenylsulfanyl)-4-quinolinecarboxylate
SpectraBase Compound ID I7tadbUgo16
InChI InChI=1S/C25H18BrNO3S/c1-16-24(31-19-7-3-2-4-8-19)23(20-9-5-6-10-21(20)27-16)25(29)30-15-22(28)17-11-13-18(26)14-12-17/h2-14H,15H2,1H3
InChIKey HJQPAULQXIGFSU-UHFFFAOYSA-N
Mol Weight 492.39 g/mol
Molecular Formula C25H18BrNO3S
Exact Mass 491.019078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fx0pbvJv0yI
Name 2-(4-Bromophenyl)-2-oxoethyl 2-methyl-3-(phenylsulfanyl)-4-quinolinecarboxylate
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Formula C25H18BrNO3S
InChI InChI=1S/C25H18BrNO3S/c1-16-24(31-19-7-3-2-4-8-19)23(20-9-5-6-10-21(20)27-16)25(29)30-15-22(28)17-11-13-18(26)14-12-17/h2-14H,15H2,1H3
InChIKey HJQPAULQXIGFSU-UHFFFAOYSA-N
Molecular Weight 492.387 g/mol
SMILES c1(c(c(C)nc2c1cccc2)Sc1ccccc1)C(OCC(c1ccc(cc1)Br)=O)=O
SPLASH splash10-00no-3950200000-18d737763d36f8643cb1
Synonyms 2-Methyl-3-phenylsulfanyl-quinoline-4-carboxylic acid 2-(4-bromo-phenyl)-2-oxo-ethyl ester
Wiley ID 1436794