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3-(1,3-benzodioxol-5-ylcarbonyl)-2-(trifluoromethyl)benzo[f][1]benzofuran-4,9-dione
SpectraBase Compound ID KRPM4EkwYQb
InChI InChI=1S/C21H9F3O6/c22-21(23,24)20-15(16(25)9-5-6-12-13(7-9)29-8-28-12)14-17(26)10-3-1-2-4-11(10)18(27)19(14)30-20/h1-7H,8H2
InChIKey TXGZGNVUNBTSNP-UHFFFAOYSA-N
Mol Weight 414.29 g/mol
Molecular Formula C21H9F3O6
Exact Mass 414.035122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HhbWniJJboc
Name 3-(1,3-benzodioxol-5-ylcarbonyl)-2-(trifluoromethyl)benzo[f][1]benzofuran-4,9-dione
Alternate Name(s) 3-(1,3-benzodioxole-5-carbonyl)-2-(trifluoromethyl)benzo[f]benzofuran-4,9-dione 3-(1,3-benzodioxole-5-carbonyl)-2-(trifluoromethyl)benzo[f][1]benzofuran-4,9-dione 3-Piperonyloyl-2-(trifluoromethyl)benzo[f]benzofuran-4,9-quinone 3-[1,3-benzodioxol-5-yl(oxo)methyl]-2-(trifluoromethyl)benzo[f]benzofuran-4,9-dione
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Formula C21H9F3O6
InChI InChI=1S/C21H9F3O6/c22-21(23,24)20-15(16(25)9-5-6-12-13(7-9)29-8-28-12)14-17(26)10-3-1-2-4-11(10)18(27)19(14)30-20/h1-7H,8H2
InChIKey TXGZGNVUNBTSNP-UHFFFAOYSA-N
Molecular Weight 414.292 g/mol
SMILES c12c(c(C(F)(F)F)oc2C(=O)c2c(C1=O)cccc2)C(c1cc2OCOc2cc1)=O
SPLASH splash10-0292-7910200000-5796ac9de594f1ee9e27
Wiley ID 1444981