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3-[4-(3-Chlorophenyl)piperazin-1-yl]carbonyl-8-prop-2-enyl-chromen-2-one
SpectraBase Compound ID JzhRm8xMpUp
InChI InChI=1S/C23H21ClN2O3/c1-2-5-16-6-3-7-17-14-20(23(28)29-21(16)17)22(27)26-12-10-25(11-13-26)19-9-4-8-18(24)15-19/h2-4,6-9,14-15H,1,5,10-13H2
InChIKey ZJAVTOYUBWPPFH-UHFFFAOYSA-N
Mol Weight 408.89 g/mol
Molecular Formula C23H21ClN2O3
Exact Mass 408.12407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Bz3XKthxsm
Name 3-[4-(3-Chlorophenyl)piperazin-1-yl]carbonyl-8-prop-2-enyl-chromen-2-one
Comments Computed using HOSE algorithm
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Exact Mass 408.124070241 u
Formula C23H21ClN2O3
InChI InChI=1S/C23H21ClN2O3/c1-2-5-16-6-3-7-17-14-20(23(28)29-21(16)17)22(27)26-12-10-25(11-13-26)19-9-4-8-18(24)15-19/h2-4,6-9,14-15H,1,5,10-13H2
InChIKey ZJAVTOYUBWPPFH-UHFFFAOYSA-N
Molecular Weight 408.885 g/mol
SMILES C=1(C(OC2=C(C1)C=CC=C2CC=C)=O)C(N1CCN(CC1)C=1C=C(Cl)C=CC1)=O