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6-Bromanyl-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonyl-chromen-2-one
SpectraBase Compound ID 47hS1WtnYI9
InChI InChI=1S/C22H21BrN2O3/c1-14-3-4-15(2)19(11-14)24-7-9-25(10-8-24)21(26)18-13-16-12-17(23)5-6-20(16)28-22(18)27/h3-6,11-13H,7-10H2,1-2H3
InChIKey ISOQOXCFSNUQHM-UHFFFAOYSA-N
Mol Weight 441.33 g/mol
Molecular Formula C22H21BrN2O3
Exact Mass 440.073556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4DCRxEY8zEC
Name 6-Bromanyl-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonyl-chromen-2-one
Alternate Name(s) 6-Bromo-3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]coumarin 6-Bromo-3-[[4-(2,5-dimethylphenyl)-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one
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Formula C22H21BrN2O3
InChI InChI=1S/C22H21BrN2O3/c1-14-3-4-15(2)19(11-14)24-7-9-25(10-8-24)21(26)18-13-16-12-17(23)5-6-20(16)28-22(18)27/h3-6,11-13H,7-10H2,1-2H3
InChIKey ISOQOXCFSNUQHM-UHFFFAOYSA-N
Molecular Weight 441.325 g/mol
SMILES C=1(C(Oc2c(C1)cc(cc2)Br)=O)C(N1CCN(CC1)c1c(ccc(c1)C)C)=O
SPLASH splash10-03di-2900000000-9219ee0cb0a357dca454
Wiley ID 1443447