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2-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-hydroxyphenyl)-4(3H)-quinazolinone
SpectraBase Compound ID KRkqsmz1Hx6
InChI InChI=1S/C22H15BrN2O2/c23-16-5-3-4-15(14-16)8-13-21-24-20-7-2-1-6-19(20)22(27)25(21)17-9-11-18(26)12-10-17/h1-14,26H/b13-8+
InChIKey XWPFAKLRZIYFKY-MDWZMJQESA-N
Mol Weight 419.28 g/mol
Molecular Formula C22H15BrN2O2
Exact Mass 418.031691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6zTFiyW7KDZ
Name 2-[(E)-2-(3-Bromophenyl)ethenyl]-3-(4-hydroxyphenyl)-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 418.031690729 u
Formula C22H15BrN2O2
InChI InChI=1S/C22H15BrN2O2/c23-16-5-3-4-15(14-16)8-13-21-24-20-7-2-1-6-19(20)22(27)25(21)17-9-11-18(26)12-10-17/h1-14,26H/b13-8+
InChIKey XWPFAKLRZIYFKY-MDWZMJQESA-N
Molecular Weight 419.278 g/mol
SMILES OC=1C=CC(N2C(C=3C=CC=CC3N=C2\C=C\C2=CC(Br)=CC=C2)=O)=CC1