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Butane-1,4-dione, 1-(4-chlorophenyl)-3-(3,4-methylenedioxyphenyl)-1-(3-pyridyl)-
SpectraBase Compound ID 6CWdUq0pglk
InChI InChI=1S/C22H16ClNO4/c23-17-6-3-14(4-7-17)19(25)11-18(22(26)16-2-1-9-24-12-16)15-5-8-20-21(10-15)28-13-27-20/h1-10,12,18H,11,13H2
InChIKey ILGMEKCGEDYXCO-UHFFFAOYSA-N
Mol Weight 393.83 g/mol
Molecular Formula C22H16ClNO4
Exact Mass 393.076786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cHqh531kcO
Name Butane-1,4-dione, 1-(4-chlorophenyl)-3-(3,4-methylenedioxyphenyl)-1-(3-pyridyl)-
Alternate Name(s) 2-(1,3-Benzodioxol-5-yl)-4-(4-chlorophenyl)-1-(3-pyridinyl)-1,4-butanedione 2-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1-(3-pyridinyl)butane-1,4-dione 2-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1-(3-pyridyl)butane-1,4-dione 2-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-1-pyridin-3-yl-butane-1,4-dione
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Formula C22H16ClNO4
InChI InChI=1S/C22H16ClNO4/c23-17-6-3-14(4-7-17)19(25)11-18(22(26)16-2-1-9-24-12-16)15-5-8-20-21(10-15)28-13-27-20/h1-10,12,18H,11,13H2
InChIKey ILGMEKCGEDYXCO-UHFFFAOYSA-N
Molecular Weight 393.826 g/mol
SMILES C(C(c1cnccc1)=O)(CC(c1ccc(cc1)Cl)=O)c1cc2c(OCO2)cc1
SPLASH splash10-000i-2900000000-9787f01adaeaaf3f27d4
Source of Spectrum AD-0-2532-0
Wiley ID 1427421