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1-(4-methylbenzyl)-2-phenyl-4-trisfluoromethyl-3,5-dibromo-pyrrole
SpectraBase Compound ID 4dpbAya96pB
InChI InChI=1S/C19H14Br2F3N/c1-12-7-9-13(10-8-12)11-25-17(14-5-3-2-4-6-14)16(20)15(18(25)21)19(22,23)24/h2-10H,11H2,1H3
InChIKey LBSAAQNROGDTLU-UHFFFAOYSA-N
Mol Weight 473.13 g/mol
Molecular Formula C19H14Br2F3N
Exact Mass 470.94451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JlnlLsxLn14
Name 1-(4-methylbenzyl)-2-phenyl-4-trisfluoromethyl-3,5-dibromo-pyrrole
Appearance White solid
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Formula C19H14Br2F3N
InChI InChI=1S/C19H14Br2F3N/c1-12-7-9-13(10-8-12)11-25-17(14-5-3-2-4-6-14)16(20)15(18(25)21)19(22,23)24/h2-10H,11H2,1H3
InChIKey LBSAAQNROGDTLU-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 473.131 g/mol
Reported Formula C19H14Br2F3N
SMILES c1([n](c(c(c1C(F)(F)F)Br)-c1ccccc1)Cc1ccc(cc1)C)Br
SPLASH splash10-0a4i-0900100000-2e2167e75d3e1bf26844
Source of Spectrum CN108047114A
Wiley ID 1870537