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3-(2-Chlorophenyl)-8-[(4-ethyl-1-piperazin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate
SpectraBase Compound ID DHaTkMbFvgL
InChI InChI=1S/C22H23ClN2O3/c1-2-24-9-11-25(12-10-24)13-17-20(26)8-7-16-21(27)18(14-28-22(16)17)15-5-3-4-6-19(15)23/h3-8,14,26H,2,9-13H2,1H3
InChIKey TZDKJEVRXAMMGI-UHFFFAOYSA-N
Mol Weight 398.89 g/mol
Molecular Formula C22H23ClN2O3
Exact Mass 398.13972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HzuQZsvNz1s
Name 3-(2-Chlorophenyl)-8-[(4-ethyl-1-piperazin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate
Alternate Name(s) 3-(2-Chlorophenyl)-8-[(4-ethyl-1-piperazinyl)methyl]-7-hydroxy-1-benzopyran-4-one 3-(2-Chlorophenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-keto-chromen-7-olate 3-(2-Chlorophenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate 3-(2-Chlorophenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate 3-(2-Chlorophenyl)-8-[(4-ethylpiperazin-1-yl)methyl]-7-oxidanyl-chromen-4-one 3-(2-Chlorophenyl)-8-[(4-ethylpiperazino)methyl]-7-hydroxy-chromone 3-(2-Chlorophenyl)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxychromen-4-one
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Formula C22H23ClN2O3
InChI InChI=1S/C22H23ClN2O3/c1-2-24-9-11-25(12-10-24)13-17-20(26)8-7-16-21(27)18(14-28-22(16)17)15-5-3-4-6-19(15)23/h3-8,14,26H,2,9-13H2,1H3
InChIKey TZDKJEVRXAMMGI-UHFFFAOYSA-N
Molecular Weight 398.890 g/mol
SMILES Oc1c(c2OC=C(C(c2cc1)=O)c1c(Cl)cccc1)CN1CCN(CC1)CC
SPLASH splash10-0abc-9200000000-09a5054e2bceda0ea028
Wiley ID 1510944