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

View entire compound with spectra: 2 NMR

2-[2-(4-bromophenyl)-2-oxoethyl]-4-(4-methoxyphenyl)-1(2H)-phthalazinone
SpectraBase Compound ID CHKylT6NIFV
InChI InChI=1S/C23H17BrN2O3/c1-29-18-12-8-16(9-13-18)22-19-4-2-3-5-20(19)23(28)26(25-22)14-21(27)15-6-10-17(24)11-7-15/h2-13H,14H2,1H3
InChIKey HYXJSSINRAJIBB-UHFFFAOYSA-N
Mol Weight 449.3 g/mol
Molecular Formula C23H17BrN2O3
Exact Mass 448.042255 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8GmlluJoARY
Name 2-[2-(4-Bromophenyl)-2-oxoethyl]-4-(4-methoxyphenyl)-1(2H)-phthalazinone
Comments Computed using HOSE algorithm
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Exact Mass 448.042255412 u
Formula C23H17BrN2O3
InChI InChI=1S/C23H17BrN2O3/c1-29-18-12-8-16(9-13-18)22-19-4-2-3-5-20(19)23(28)26(25-22)14-21(27)15-6-10-17(24)11-7-15/h2-13H,14H2,1H3
InChIKey HYXJSSINRAJIBB-UHFFFAOYSA-N
Molecular Weight 449.304 g/mol
SMILES C=1C=C2C(N(N=C(C=3C=CC(=CC3)OC)C2=CC1)CC(C1=CC=C(C=C1)Br)=O)=O