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4-(4-bromophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]-1(2H)-phthalazinone

View entire compound with spectra: 2 NMR

4-(4-bromophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]-1(2H)-phthalazinone
SpectraBase Compound ID CfRB0oiayH1
InChI InChI=1S/C22H14BrClN2O2/c23-16-9-5-15(6-10-16)21-18-3-1-2-4-19(18)22(28)26(25-21)13-20(27)14-7-11-17(24)12-8-14/h1-12H,13H2
InChIKey VJGVEWFGPKDHFM-UHFFFAOYSA-N
Mol Weight 453.72 g/mol
Molecular Formula C22H14BrClN2O2
Exact Mass 451.992718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1jfL6HimW14
Name 4-(4-Bromophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]-1(2H)-phthalazinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.992718397 u
Formula C22H14BrClN2O2
InChI InChI=1S/C22H14BrClN2O2/c23-16-9-5-15(6-10-16)21-18-3-1-2-4-19(18)22(28)26(25-21)13-20(27)14-7-11-17(24)12-8-14/h1-12H,13H2
InChIKey VJGVEWFGPKDHFM-UHFFFAOYSA-N
Molecular Weight 453.723 g/mol
SMILES C=1C=C2C(C(N(N=C2C=2C=CC(=CC2)Br)CC(C2=CC=C(C=C2)Cl)=O)=O)=CC1