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benzoic acid, 4-bromo-, 4-[(E)-[(2,4-dimethylphenyl)imino]methyl]phenyl ester
SpectraBase Compound ID GzjXIuHyYuJ
InChI InChI=1S/C22H18BrNO2/c1-15-3-12-21(16(2)13-15)24-14-17-4-10-20(11-5-17)26-22(25)18-6-8-19(23)9-7-18/h3-14H,1-2H3/b24-14+
InChIKey KGXVLMMUDSDCIB-ZVHZXABRSA-N
Mol Weight 408.3 g/mol
Molecular Formula C22H18BrNO2
Exact Mass 407.052092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eu4tohnMOU5
Name Benzoic acid, 4-bromo-, 4-[(E)-[(2,4-dimethylphenyl)imino]methyl]phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 407.052091822 u
Formula C22H18BrNO2
InChI InChI=1S/C22H18BrNO2/c1-15-3-12-21(16(2)13-15)24-14-17-4-10-20(11-5-17)26-22(25)18-6-8-19(23)9-7-18/h3-14H,1-2H3/b24-14+
InChIKey KGXVLMMUDSDCIB-ZVHZXABRSA-N
Molecular Weight 408.295 g/mol
SMILES C(OC1=CC=C(\C=N\C2=C(C=C(C=C2)C)C)C=C1)(C=1C=CC(=CC1)Br)=O