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3-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]carbonylchromen-2-one
SpectraBase Compound ID FdFIrtmJaHX
InChI InChI=1S/C21H19ClN2O3/c1-14-6-7-16(13-18(14)22)23-8-10-24(11-9-23)20(25)17-12-15-4-2-3-5-19(15)27-21(17)26/h2-7,12-13H,8-11H2,1H3
InChIKey JXYJJCCBSIEQAD-UHFFFAOYSA-N
Mol Weight 382.85 g/mol
Molecular Formula C21H19ClN2O3
Exact Mass 382.10842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9QqfcGdRzds
Name 3-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]carbonylchromen-2-one
Alternate Name(s) 3-[4-(3-chloro-4-methyl-phenyl)piperazine-1-carbonyl]coumarin 3-[[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one 3-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]chromen-2-one
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Formula C21H19ClN2O3
InChI InChI=1S/C21H19ClN2O3/c1-14-6-7-16(13-18(14)22)23-8-10-24(11-9-23)20(25)17-12-15-4-2-3-5-19(15)27-21(17)26/h2-7,12-13H,8-11H2,1H3
InChIKey JXYJJCCBSIEQAD-UHFFFAOYSA-N
Molecular Weight 382.847 g/mol
SMILES C=1(C(Oc2c(C1)cccc2)=O)C(N1CCN(CC1)c1cc(Cl)c(cc1)C)=O
SPLASH splash10-001i-5901000000-21b8d1de55a5f853dfd8
Wiley ID 1442889