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2-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)butane-1,4-dione
SpectraBase Compound ID Cd84fcsXJ21
InChI InChI=1S/C25H21ClO6/c1-29-18-8-9-19(23(12-18)30-2)21(27)13-20(25(28)15-3-6-17(26)7-4-15)16-5-10-22-24(11-16)32-14-31-22/h3-12,20H,13-14H2,1-2H3
InChIKey RYXZUHYZXDILLM-UHFFFAOYSA-N
Mol Weight 452.89 g/mol
Molecular Formula C25H21ClO6
Exact Mass 452.102666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7XMJ8p4A0Zt
Name 2-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)butane-1,4-dione
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Formula C25H21ClO6
InChI InChI=1S/C25H21ClO6/c1-29-18-8-9-19(23(12-18)30-2)21(27)13-20(25(28)15-3-6-17(26)7-4-15)16-5-10-22-24(11-16)32-14-31-22/h3-12,20H,13-14H2,1-2H3
InChIKey RYXZUHYZXDILLM-UHFFFAOYSA-N
Molecular Weight 452.890 g/mol
SMILES C(C(c1ccc(cc1)Cl)=O)(CC(c1c(cc(cc1)OC)OC)=O)c1cc2OCOc2cc1
SPLASH splash10-014i-0902200000-7efdaa7dde36bc72acae
Source of Spectrum H1-53-1139-11
Wiley ID 817952