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3-(4-Bromoanilino)-1-(4-ethylphenyl)-3-(4-methoxyphenyl)-1-propanone

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

3-(4-Bromoanilino)-1-(4-ethylphenyl)-3-(4-methoxyphenyl)-1-propanone
SpectraBase Compound ID L5J5ucbb6s8
InChI InChI=1S/C24H24BrNO2/c1-3-17-4-6-19(7-5-17)24(27)16-23(18-8-14-22(28-2)15-9-18)26-21-12-10-20(25)11-13-21/h4-15,23,26H,3,16H2,1-2H3
InChIKey DHGGERTVBWWLAZ-UHFFFAOYSA-N
Mol Weight 438.37 g/mol
Molecular Formula C24H24BrNO2
Exact Mass 437.099042 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4gALJtQobqJ
Name 3-(4-Bromoanilino)-1-(4-ethylphenyl)-3-(4-methoxyphenyl)-1-propanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 437.099042015 u
Formula C24H24BrNO2
InChI InChI=1S/C24H24BrNO2/c1-3-17-4-6-19(7-5-17)24(27)16-23(18-8-14-22(28-2)15-9-18)26-21-12-10-20(25)11-13-21/h4-15,23,26H,3,16H2,1-2H3
InChIKey DHGGERTVBWWLAZ-UHFFFAOYSA-N
Molecular Weight 438.365 g/mol
SMILES C(C(C1=CC=C(CC)C=C1)=O)C(NC1=CC=C(C=C1)Br)C1=CC=C(OC)C=C1