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2-(3,4-Methylenedioxyphenyl)-1-(4-chloro-phenyl)-3-(2,4-dimethoxybenzoyl)propan-1-one oxime
SpectraBase Compound ID 4GUEIWLxwiy
InChI InChI=1S/C25H22ClNO6/c1-30-18-8-9-19(23(12-18)31-2)21(28)13-20(16-5-10-22-24(11-16)33-14-32-22)25(27-29)15-3-6-17(26)7-4-15/h3-12,20,29H,13-14H2,1-2H3/b27-25+
InChIKey XWPKBKWNMQZILP-IMVLJIQESA-N
Mol Weight 467.91 g/mol
Molecular Formula C25H22ClNO6
Exact Mass 467.113565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fy3Ke4Js
Name 2-(3,4-Methylenedioxyphenyl)-1-(4-chloro-phenyl)-3-(2,4-dimethoxybenzoyl)propan-1-one oxime
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Formula C25H22ClNO6
InChI InChI=1S/C25H22ClNO6/c1-30-18-8-9-19(23(12-18)31-2)21(28)13-20(16-5-10-22-24(11-16)33-14-32-22)25(27-29)15-3-6-17(26)7-4-15/h3-12,20,29H,13-14H2,1-2H3/b27-25+
InChIKey XWPKBKWNMQZILP-IMVLJIQESA-N
Molecular Weight 467.905 g/mol
SMILES O\N=C\(C(CC(c1c(cc(cc1)OC)OC)=O)c1cc2OCOc2cc1)c1ccc(cc1)Cl
SPLASH splash10-02g9-3901300000-8ce7188463b18f5df60b
Source of Spectrum H1-53-1140-14
Synonyms (1Z)-2-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-1,4-butanedione 1-oxime 2-(3,4-Methylenedioxyphenyl)-3-(2,4-dimethoxybenzoyl)propan-1-one oxime
Wiley ID 817948