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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GDm75Y0vYjX
Name 6,8-Dichloro-3-[4-(2-fluoro-phenyl)-piperazine-1-carbonyl]-chromen-2-one
Comments Computed using HOSE algorithm
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Exact Mass 420.044375911 u
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(OC2=C(C1)C=C(C=C2Cl)Cl)=O)C(N1CCN(CC1)C=1C(F)=CC=CC1)=O