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

View entire compound with spectra: 2 NMR

2-[2-(4-bromophenyl)-2-oxoethyl]-4-(4-chlorophenyl)-1(2H)-phthalazinone
SpectraBase Compound ID K0evwQRU5OD
InChI InChI=1S/C22H14BrClN2O2/c23-16-9-5-14(6-10-16)20(27)13-26-22(28)19-4-2-1-3-18(19)21(25-26)15-7-11-17(24)12-8-15/h1-12H,13H2
InChIKey HZTSUXBWJHCOSY-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 7ldVLHOpjna
Name 2-[2-(4-Bromophenyl)-2-oxoethyl]-4-(4-chlorophenyl)-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/c23-16-9-5-14(6-10-16)20(27)13-26-22(28)19-4-2-1-3-18(19)21(25-26)15-7-11-17(24)12-8-15/h1-12H,13H2
InChIKey HZTSUXBWJHCOSY-UHFFFAOYSA-N
Molecular Weight 453.723 g/mol
SMILES C=1C=C2C(C(N(N=C2C=2C=CC(=CC2)Cl)CC(C2=CC=C(C=C2)Br)=O)=O)=CC1