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N-[2-(2-Bromo-4,5-dimethoxyphenyl)ethyl]-3-benzylidene-2,3-dihydro-1H-isoindol-1-one
SpectraBase Compound ID HLg7cpOjS7b
InChI InChI=1S/C25H22BrNO3/c1-29-23-15-18(21(26)16-24(23)30-2)12-13-27-22(14-17-8-4-3-5-9-17)19-10-6-7-11-20(19)25(27)28/h3-11,14-16H,12-13H2,1-2H3/b22-14-
InChIKey ZNUZJKKNTJQGJX-HMAPJEAMSA-N
Mol Weight 464.36 g/mol
Molecular Formula C25H22BrNO3
Exact Mass 463.078307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BccTvUMGfUY
Name N-[2-(2-Bromo-4,5-dimethoxyphenyl)ethyl]-3-benzylidene-2,3-dihydro-1H-isoindol-1-one
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Formula C25H22BrNO3
InChI InChI=1S/C25H22BrNO3/c1-29-23-15-18(21(26)16-24(23)30-2)12-13-27-22(14-17-8-4-3-5-9-17)19-10-6-7-11-20(19)25(27)28/h3-11,14-16H,12-13H2,1-2H3/b22-14-
InChIKey ZNUZJKKNTJQGJX-HMAPJEAMSA-N
Molecular Weight 464.359 g/mol
SMILES c12\C(N(C(c1cccc2)=O)CCc1c(cc(c(c1)OC)OC)Br)=C\c1ccccc1
SPLASH splash10-0006-0090000000-ea0b0bce7aef8b687597
Source of Spectrum F-55-5605-3
Synonyms (3Z)-3-benzylidene-2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-isoindol-1-one
Wiley ID 837773