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2-propenoic acid, 3-(4-bromophenyl)-, 4-[(E)-[(2-methylphenyl)imino]methyl]phenyl ester, (2E)-
SpectraBase Compound ID 1v9FepP1X4g
InChI InChI=1S/C23H18BrNO2/c1-17-4-2-3-5-22(17)25-16-19-8-13-21(14-9-19)27-23(26)15-10-18-6-11-20(24)12-7-18/h2-16H,1H3/b15-10+,25-16+
InChIKey DXPPODJMXZUBQP-FCMREFMGSA-N
Mol Weight 420.31 g/mol
Molecular Formula C23H18BrNO2
Exact Mass 419.052092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FauN4wlvWvF
Name 2-Propenoic acid, 3-(4-bromophenyl)-, 4-[(E)-[(2-methylphenyl)imino]methyl]phenyl ester, (2E)-
Comments Computed using HOSE algorithm
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Exact Mass 419.052091822 u
Formula C23H18BrNO2
InChI InChI=1S/C23H18BrNO2/c1-17-4-2-3-5-22(17)25-16-19-8-13-21(14-9-19)27-23(26)15-10-18-6-11-20(24)12-7-18/h2-16H,1H3/b15-10+,25-16+
InChIKey DXPPODJMXZUBQP-FCMREFMGSA-N
Molecular Weight 420.306 g/mol
SMILES C1=CC=C(C(\N=C\C=2C=CC(OC(\C=C\C3=CC=C(C=C3)Br)=O)=CC2)=C1)C