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6-Bromanyl-3-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]carbonyl-chromen-2-one
SpectraBase Compound ID ExQ0T3svk4t
InChI InChI=1S/C21H18BrClN2O3/c1-13-2-4-16(12-18(13)23)24-6-8-25(9-7-24)20(26)17-11-14-10-15(22)3-5-19(14)28-21(17)27/h2-5,10-12H,6-9H2,1H3
InChIKey PFQCZXFFUPRHMA-UHFFFAOYSA-N
Mol Weight 461.74 g/mol
Molecular Formula C21H18BrClN2O3
Exact Mass 460.018933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9btbPGpo3hN
Name 6-Bromanyl-3-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]carbonyl-chromen-2-one
Alternate Name(s) 6-Bromo-3-[4-(3-chloro-4-methyl-phenyl)piperazine-1-carbonyl]coumarin 6-Bromo-3-[[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one 6-Bromo-3-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]chromen-2-one
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Formula C21H18BrClN2O3
InChI InChI=1S/C21H18BrClN2O3/c1-13-2-4-16(12-18(13)23)24-6-8-25(9-7-24)20(26)17-11-14-10-15(22)3-5-19(14)28-21(17)27/h2-5,10-12H,6-9H2,1H3
InChIKey PFQCZXFFUPRHMA-UHFFFAOYSA-N
Molecular Weight 461.743 g/mol
SMILES C=1(C(Oc2c(C1)cc(cc2)Br)=O)C(N1CCN(CC1)c1cc(Cl)c(cc1)C)=O
SPLASH splash10-001i-5910000000-b1beb8480ba86e7380c9
Wiley ID 1442938