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3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-6-bromanyl-8-methoxy-chromen-2-one
SpectraBase Compound ID GXjNYc4SteO
InChI InChI=1S/C23H21BrN2O6/c1-29-20-11-16(24)9-15-10-17(23(28)32-21(15)20)22(27)26-6-4-25(5-7-26)12-14-2-3-18-19(8-14)31-13-30-18/h2-3,8-11H,4-7,12-13H2,1H3
InChIKey WPFPOPVRVKUKBS-UHFFFAOYSA-N
Mol Weight 501.33 g/mol
Molecular Formula C23H21BrN2O6
Exact Mass 500.058299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSzVhXZ3sZK
Name 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-6-bromanyl-8-methoxy-chromen-2-one
Alternate Name(s) 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-6-bromo-8-methoxy-chromen-2-one 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-6-bromo-8-methoxy-1-benzopyran-2-one 6-Bromo-8-methoxy-3-(4-piperonylpiperazine-1-carbonyl)coumarin
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Formula C23H21BrN2O6
InChI InChI=1S/C23H21BrN2O6/c1-29-20-11-16(24)9-15-10-17(23(28)32-21(15)20)22(27)26-6-4-25(5-7-26)12-14-2-3-18-19(8-14)31-13-30-18/h2-3,8-11H,4-7,12-13H2,1H3
InChIKey WPFPOPVRVKUKBS-UHFFFAOYSA-N
Molecular Weight 501.333 g/mol
SMILES C=1(C(Oc2c(C1)cc(cc2OC)Br)=O)C(N1CCN(CC1)Cc1cc2OCOc2cc1)=O
SPLASH splash10-000i-4920000000-806879208a0b7cf34c9f
Wiley ID 1512262