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4-Bromobenzoylmethyl 3-(4-chlorobenzylideneamino)benzoate

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 MS (GC)

4-Bromobenzoylmethyl 3-(4-chlorobenzylideneamino)benzoate
SpectraBase Compound ID AEoQuS0jSn
InChI InChI=1S/C22H15BrClNO3/c23-18-8-6-16(7-9-18)21(26)14-28-22(27)17-2-1-3-20(12-17)25-13-15-4-10-19(24)11-5-15/h1-13H,14H2/b25-13+
InChIKey YONROBVSWBAUMV-DHRITJCHSA-N
Mol Weight 456.72 g/mol
Molecular Formula C22H15BrClNO3
Exact Mass 454.992384 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Ae7I0KpynV
Name 4-Bromobenzoylmethyl 3-(4-chlorobenzylideneamino)benzoate
Comments Computed using HOSE algorithm
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Exact Mass 454.992384044 u
Formula C22H15BrClNO3
InChI InChI=1S/C22H15BrClNO3/c23-18-8-6-16(7-9-18)21(26)14-28-22(27)17-2-1-3-20(12-17)25-13-15-4-10-19(24)11-5-15/h1-13H,14H2/b25-13+
InChIKey YONROBVSWBAUMV-DHRITJCHSA-N
Molecular Weight 456.723 g/mol
SMILES c1(ccc(cc1)C(=O)COC(=O)c1cc(ccc1)\N=C\c1ccc(cc1)Cl)Br