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1-benzyl-2-(4-trifluoromethylphenyl)-4-trifluoromethyl-3,5-dibromo-pyrrole
SpectraBase Compound ID CE21bNFzHBQ
InChI InChI=1S/C19H11Br2F6N/c20-15-14(19(25,26)27)17(21)28(10-11-4-2-1-3-5-11)16(15)12-6-8-13(9-7-12)18(22,23)24/h1-9H,10H2
InChIKey FOPAUQLXJFEVFL-UHFFFAOYSA-N
Mol Weight 527.1 g/mol
Molecular Formula C19H11Br2F6N
Exact Mass 524.916244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AOcqdNKdqK4
Name 1-benzyl-2-(4-trifluoromethylphenyl)-4-trifluoromethyl-3,5-dibromo-pyrrole
Appearance White solid
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Formula C19H11Br2F6N
InChI InChI=1S/C19H11Br2F6N/c20-15-14(19(25,26)27)17(21)28(10-11-4-2-1-3-5-11)16(15)12-6-8-13(9-7-12)18(22,23)24/h1-9H,10H2
InChIKey FOPAUQLXJFEVFL-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 527.102 g/mol
Reported Formula C19H11Br2F6N
SMILES c1([n](c(c(c1C(F)(F)F)Br)-c1ccc(cc1)C(F)(F)F)Cc1ccccc1)Br
SPLASH splash10-0006-9000010000-f5fcfd22b581194975ed
Source of Spectrum CN108047114A
Wiley ID 1870549