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6,8-Dichloro-3-[4-(2-fluoro-phenyl)-piperazine-1-carbonyl]-chromen-2-one
SpectraBase Compound ID Klxt4AITwZ7
InChI InChI=1S/C20H15Cl2FN2O3/c21-13-9-12-10-14(20(27)28-18(12)15(22)11-13)19(26)25-7-5-24(6-8-25)17-4-2-1-3-16(17)23/h1-4,9-11H,5-8H2
InChIKey YMWJGFNHEKBKAS-UHFFFAOYSA-N
Mol Weight 421.26 g/mol
Molecular Formula C20H15Cl2FN2O3
Exact Mass 420.044376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FeUoGTQOfmq
Name 6,8-Dichloro-3-[4-(2-fluoro-phenyl)-piperazine-1-carbonyl]-chromen-2-one
Alternate Name(s) 6,8-bis(chloranyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-chromen-2-one 6,8-Dichloro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]coumarin 6,8-Dichloro-3-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one
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Formula C20H15Cl2FN2O3
InChI InChI=1S/C20H15Cl2FN2O3/c21-13-9-12-10-14(20(27)28-18(12)15(22)11-13)19(26)25-7-5-24(6-8-25)17-4-2-1-3-16(17)23/h1-4,9-11H,5-8H2
InChIKey YMWJGFNHEKBKAS-UHFFFAOYSA-N
Molecular Weight 421.255 g/mol
SMILES C=1(C(Oc2c(C1)cc(cc2Cl)Cl)=O)C(N1CCN(CC1)c1c(F)cccc1)=O
SPLASH splash10-0zfr-6900000000-11cfa35dae58a8e32e80
Wiley ID 1445194