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2-[2-(o-Nitrophenyl-2-furyl)vinyl]-3-(3-chloro-4-fluorophenyl)quizolin-4-one
SpectraBase Compound ID 6ZHayZE9KKq
InChI InChI=1S/C26H15ClFN3O4/c27-20-15-16(9-12-21(20)28)30-25(29-22-7-3-1-5-18(22)26(30)32)14-11-17-10-13-24(35-17)19-6-2-4-8-23(19)31(33)34/h1-15H/b14-11+
InChIKey PKAXMCCVGUTQIF-SDNWHVSQSA-N
Mol Weight 487.87 g/mol
Molecular Formula C26H15ClFN3O4
Exact Mass 487.073512 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7A7I8yRBKMc
Name 2-[2-(o-Nitrophenyl-2-furyl)vinyl]-3-(3-chloro-4-fluorophenyl)quizolin-4-one
Comments Computed using HOSE algorithm
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Exact Mass 487.073511834 u
Formula C26H15ClFN3O4
InChI InChI=1S/C26H15ClFN3O4/c27-20-15-16(9-12-21(20)28)30-25(29-22-7-3-1-5-18(22)26(30)32)14-11-17-10-13-24(35-17)19-6-2-4-8-23(19)31(33)34/h1-15H/b14-11+
InChIKey PKAXMCCVGUTQIF-SDNWHVSQSA-N
Molecular Weight 487.874 g/mol
SMILES C1(N(C(=NC2=CC=CC=C12)\C=C\C=1OC(C=2C(N(=O)=O)=CC=CC2)=CC1)C=1C=C(Cl)C(=CC1)F)=O