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1-benzyl-2-(9-phenanthryl)-4-trifluoromethyl-3,5-dibromo-pyrrole
SpectraBase Compound ID EdproiWeEVA
InChI InChI=1S/C26H16Br2F3N/c27-23-22(26(29,30)31)25(28)32(15-16-8-2-1-3-9-16)24(23)21-14-17-10-4-5-11-18(17)19-12-6-7-13-20(19)21/h1-14H,15H2
InChIKey DHEBELOVZLZDBH-UHFFFAOYSA-N
Mol Weight 559.22 g/mol
Molecular Formula C26H16Br2F3N
Exact Mass 556.96016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8zRy6VEJDCn
Name 1-benzyl-2-(9-phenanthryl)-4-trifluoromethyl-3,5-dibromo-pyrrole
Appearance White solid
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Formula C26H16Br2F3N
InChI InChI=1S/C26H16Br2F3N/c27-23-22(26(29,30)31)25(28)32(15-16-8-2-1-3-9-16)24(23)21-14-17-10-4-5-11-18(17)19-12-6-7-13-20(19)21/h1-14H,15H2
InChIKey DHEBELOVZLZDBH-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 559.224 g/mol
Reported Formula C26H16Br2F3N
SMILES c1([n](c(c(c1C(F)(F)F)Br)-c1cc2c(c3c1cccc3)cccc2)Cc1ccccc1)Br
SPLASH splash10-0006-9000020000-4d741e2db0e36faeae64
Source of Spectrum CN108047114A
Wiley ID 1870532