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6-Bromanyl-3-[4-(3,4-dimethylphenyl)piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one
SpectraBase Compound ID B4EjZiPsjwX
InChI InChI=1S/C23H23BrN2O4/c1-14-4-5-18(10-15(14)2)25-6-8-26(9-7-25)22(27)19-12-16-11-17(24)13-20(29-3)21(16)30-23(19)28/h4-5,10-13H,6-9H2,1-3H3
InChIKey KUTBHDVNDLOLEW-UHFFFAOYSA-N
Mol Weight 471.35 g/mol
Molecular Formula C23H23BrN2O4
Exact Mass 470.08412 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GyF50ivmv9z
Name 6-Bromanyl-3-[4-(3,4-dimethylphenyl)piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one
Alternate Name(s) 6-Bromo-3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-8-methoxy-coumarin 6-Bromo-3-[[4-(3,4-dimethylphenyl)-1-piperazinyl]-oxomethyl]-8-methoxy-1-benzopyran-2-one 6-Bromo-3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-8-methoxychromen-2-one
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Formula C23H23BrN2O4
InChI InChI=1S/C23H23BrN2O4/c1-14-4-5-18(10-15(14)2)25-6-8-26(9-7-25)22(27)19-12-16-11-17(24)13-20(29-3)21(16)30-23(19)28/h4-5,10-13H,6-9H2,1-3H3
InChIKey KUTBHDVNDLOLEW-UHFFFAOYSA-N
Molecular Weight 471.351 g/mol
SMILES COc1c2OC(C(C(=O)N3CCN(c4cc(C)c(cc4)C)CC3)=Cc2cc(c1)Br)=O
SPLASH splash10-03di-3910100000-b81f53902849f1a415c7
Wiley ID 1444655