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1-(4-trifluoromethylbenzyl)-2-phenyl 4-trifluoromethyl-3,5-dibromo-pyrrole
SpectraBase Compound ID JRA9u3KW0H8
InChI InChI=1S/C19H11Br2F6N/c20-15-14(19(25,26)27)17(21)28(16(15)12-4-2-1-3-5-12)10-11-6-8-13(9-7-11)18(22,23)24/h1-9H,10H2
InChIKey CMSKFJOVYDTQQY-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 F0TZLB6MXql
Name 1-(4-trifluoromethylbenzyl)-2-phenyl 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(16(15)12-4-2-1-3-5-12)10-11-6-8-13(9-7-11)18(22,23)24/h1-9H,10H2
InChIKey CMSKFJOVYDTQQY-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 527.102 g/mol
Reported Formula C19H11Br2F6N
SMILES c1([n](c(c(c1C(F)(F)F)Br)-c1ccccc1)Cc1ccc(cc1)C(F)(F)F)Br
SPLASH splash10-0a4i-0900020000-125dc62e9114c8b082ec
Source of Spectrum CN108047114A
Wiley ID 1870536