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benzoic acid, 3-bromo-, 4-[(E)-[2-[2-(4-chlorophenoxy)acetyl]hydrazono]methyl]phenyl ester
SpectraBase Compound ID BsFJGnBnKmH
InChI InChI=1S/C22H16BrClN2O4/c23-17-3-1-2-16(12-17)22(28)30-20-8-4-15(5-9-20)13-25-26-21(27)14-29-19-10-6-18(24)7-11-19/h1-13H,14H2,(H,26,27)/b25-13+
InChIKey HZXVXACWCFNNRD-DHRITJCHSA-N
Mol Weight 487.74 g/mol
Molecular Formula C22H16BrClN2O4
Exact Mass 485.998198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BMkwAjqDLGH
Name Benzoic acid, 3-bromo-, 4-[(E)-[2-[2-(4-chlorophenoxy)acetyl]hydrazono]methyl]phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 485.998197699 u
Formula C22H16BrClN2O4
InChI InChI=1S/C22H16BrClN2O4/c23-17-3-1-2-16(12-17)22(28)30-20-8-4-15(5-9-20)13-25-26-21(27)14-29-19-10-6-18(24)7-11-19/h1-13H,14H2,(H,26,27)/b25-13+
InChIKey HZXVXACWCFNNRD-DHRITJCHSA-N
Molecular Weight 487.737 g/mol
SMILES N(C(=O)COC=1C=CC(=CC1)Cl)\N=C\C1=CC=C(OC(C=2C=C(Br)C=CC2)=O)C=C1