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3-(2,6-dichlorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-4(3H)-quinazolinone
SpectraBase Compound ID 28eNHu1iFMx
InChI InChI=1S/C22H13Cl2FN2O/c23-17-5-3-6-18(24)21(17)27-20(13-10-14-8-11-15(25)12-9-14)26-19-7-2-1-4-16(19)22(27)28/h1-13H/b13-10+
InChIKey COFJSWBYRKBKSM-JLHYYAGUSA-N
Mol Weight 411.26 g/mol
Molecular Formula C22H13Cl2FN2O
Exact Mass 410.038897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7h5vqpUenS9
Name 3-(2,6-Dichlorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 410.038896609 u
Formula C22H13Cl2FN2O
InChI InChI=1S/C22H13Cl2FN2O/c23-17-5-3-6-18(24)21(17)27-20(13-10-14-8-11-15(25)12-9-14)26-19-7-2-1-4-16(19)22(27)28/h1-13H/b13-10+
InChIKey COFJSWBYRKBKSM-JLHYYAGUSA-N
Molecular Weight 411.263 g/mol
SMILES C=1C=C2N=C(N(C(C2=CC1)=O)C1=C(Cl)C=CC=C1Cl)\C=C\C=1C=CC(=CC1)F