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3-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]carbonyl-6-methoxy-chromen-2-one
SpectraBase Compound ID 8fRV7BwCRZz
InChI InChI=1S/C22H21ClN2O4/c1-14-3-4-16(13-19(14)23)24-7-9-25(10-8-24)21(26)18-12-15-11-17(28-2)5-6-20(15)29-22(18)27/h3-6,11-13H,7-10H2,1-2H3
InChIKey SMAQUKFZQCXUON-UHFFFAOYSA-N
Mol Weight 412.87 g/mol
Molecular Formula C22H21ClN2O4
Exact Mass 412.118985 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LAQ7PMGgdhw
Name 3-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]carbonyl-6-methoxy-chromen-2-one
Alternate Name(s) 3-[4-(3-chloro-4-methyl-phenyl)piperazine-1-carbonyl]-6-methoxy-coumarin 3-[[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-oxomethyl]-6-methoxy-1-benzopyran-2-one 3-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-6-methoxychromen-2-one
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Formula C22H21ClN2O4
InChI InChI=1S/C22H21ClN2O4/c1-14-3-4-16(13-19(14)23)24-7-9-25(10-8-24)21(26)18-12-15-11-17(28-2)5-6-20(15)29-22(18)27/h3-6,11-13H,7-10H2,1-2H3
InChIKey SMAQUKFZQCXUON-UHFFFAOYSA-N
Molecular Weight 412.873 g/mol
SMILES C=1(C(Oc2c(C1)cc(cc2)OC)=O)C(N1CCN(CC1)c1cc(Cl)c(cc1)C)=O
SPLASH splash10-053r-7910000000-9e770d06569ba4898fe1
Wiley ID 1442875