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6-bromo-2-[(E)-2-(2-furyl)ethenyl]-3-(2-methylphenyl)-4(3H)-quinazolinone
SpectraBase Compound ID 6TOOh4TW205
InChI InChI=1S/C21H15BrN2O2/c1-14-5-2-3-7-19(14)24-20(11-9-16-6-4-12-26-16)23-18-10-8-15(22)13-17(18)21(24)25/h2-13H,1H3/b11-9+
InChIKey HKPCPHDNLGYEMB-PKNBQFBNSA-N
Mol Weight 407.27 g/mol
Molecular Formula C21H15BrN2O2
Exact Mass 406.031691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JFwbdJjl3KH
Name 6-Bromo-2-[(E)-2-(2-furyl)ethenyl]-3-(2-methylphenyl)-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 406.031690729 u
Formula C21H15BrN2O2
InChI InChI=1S/C21H15BrN2O2/c1-14-5-2-3-7-19(14)24-20(11-9-16-6-4-12-26-16)23-18-10-8-15(22)13-17(18)21(24)25/h2-13H,1H3/b11-9+
InChIKey HKPCPHDNLGYEMB-PKNBQFBNSA-N
Molecular Weight 407.267 g/mol
SMILES C=1C=CC(N2C(C=3C=C(Br)C=CC3N=C2\C=C\C=2OC=CC2)=O)=C(C)C1