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1-benzyl-2-(4-acetoxyphenyl)-4-trifluoromethyl-3,5-dibromo-pyrrole
SpectraBase Compound ID FDMytRybJTS
InChI InChI=1S/C20H14Br2F3NO2/c1-28-19(27)14-9-7-13(8-10-14)17-16(21)15(20(23,24)25)18(22)26(17)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey SFTORHACWNYPIW-UHFFFAOYSA-N
Mol Weight 517.14 g/mol
Molecular Formula C20H14Br2F3NO2
Exact Mass 514.934339 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9PPr0Qu2PyC
Name 1-benzyl-2-(4-acetoxyphenyl)-4-trifluoromethyl-3,5-dibromo-pyrrole
Appearance White solid
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Formula C20H14Br2F3NO2
InChI InChI=1S/C20H14Br2F3NO2/c1-28-19(27)14-9-7-13(8-10-14)17-16(21)15(20(23,24)25)18(22)26(17)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey SFTORHACWNYPIW-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 517.140 g/mol
Reported Formula C20H14Br2F3NO2
SMILES c1([n](c(c(c1C(F)(F)F)Br)-c1ccc(cc1)C(OC)=O)Cc1ccccc1)Br
SPLASH splash10-0006-9000010000-732b07cbfd475ddae6e9
Source of Spectrum CN108047114A
Wiley ID 1870551