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6-Bromanyl-3-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one
SpectraBase Compound ID AAGObjFskxq
InChI InChI=1S/C21H18BrClN2O4/c1-28-18-11-14(22)9-13-10-17(21(27)29-19(13)18)20(26)25-7-5-24(6-8-25)16-4-2-3-15(23)12-16/h2-4,9-12H,5-8H2,1H3
InChIKey ZBGJWJZCZKAOBD-UHFFFAOYSA-N
Mol Weight 477.74 g/mol
Molecular Formula C21H18BrClN2O4
Exact Mass 476.013848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AGtv2uifJaH
Name 6-Bromanyl-3-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one
Alternate Name(s) 6-Bromo-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-8-methoxy-coumarin 6-Bromo-3-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-8-methoxy-1-benzopyran-2-one 6-Bromo-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-8-methoxychromen-2-one
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Formula C21H18BrClN2O4
InChI InChI=1S/C21H18BrClN2O4/c1-28-18-11-14(22)9-13-10-17(21(27)29-19(13)18)20(26)25-7-5-24(6-8-25)16-4-2-3-15(23)12-16/h2-4,9-12H,5-8H2,1H3
InChIKey ZBGJWJZCZKAOBD-UHFFFAOYSA-N
Molecular Weight 477.742 g/mol
SMILES C=1(C(Oc2c(C1)cc(cc2OC)Br)=O)C(N1CCN(CC1)c1cc(Cl)ccc1)=O
SPLASH splash10-014i-4900000000-b88ff0d95a658c4b6b69
Wiley ID 1443626