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1-benzyl-2-(4-Methoxyphenyl)-4-trifluoromethyl-3,5-dibromo-pyrrole
SpectraBase Compound ID Fcko5ECuYwU
InChI InChI=1S/C19H14Br2F3NO/c1-26-14-9-7-13(8-10-14)17-16(20)15(19(22,23)24)18(21)25(17)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey IXVIHQPZMKOBME-UHFFFAOYSA-N
Mol Weight 489.13 g/mol
Molecular Formula C19H14Br2F3NO
Exact Mass 486.939425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AbOsWr73FLK
Name 1-benzyl-2-(4-Methoxyphenyl)-4-trifluoromethyl-3,5-dibromo-pyrrole
Appearance White solid
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Formula C19H14Br2F3NO
InChI InChI=1S/C19H14Br2F3NO/c1-26-14-9-7-13(8-10-14)17-16(20)15(19(22,23)24)18(21)25(17)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey IXVIHQPZMKOBME-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 489.130 g/mol
Reported Formula C19H14Br2F3NO
SMILES c1([n](c(c(c1C(F)(F)F)Br)-c1ccc(cc1)OC)Cc1ccccc1)Br
SPLASH splash10-0006-9000200000-3f3178ef524a00e45021
Source of Spectrum CN108047114A
Wiley ID 1870545