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1-benzyl-2-(2-naphthyl)-4-trifluoromethyl-3,5-dibromo-pyrrole
SpectraBase Compound ID 3HQTX2fUkWJ
InChI InChI=1S/C22H14Br2F3N/c23-19-18(22(25,26)27)21(24)28(13-14-7-2-1-3-8-14)20(19)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2
InChIKey DVBBTHIZDOEJIG-UHFFFAOYSA-N
Mol Weight 509.16 g/mol
Molecular Formula C22H14Br2F3N
Exact Mass 506.94451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wCxcdG3WXw
Name 1-benzyl-2-(2-naphthyl)-4-trifluoromethyl-3,5-dibromo-pyrrole
Appearance White solid
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Formula C22H14Br2F3N
InChI InChI=1S/C22H14Br2F3N/c23-19-18(22(25,26)27)21(24)28(13-14-7-2-1-3-8-14)20(19)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2
InChIKey DVBBTHIZDOEJIG-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 509.164 g/mol
Reported Formula C22H14Br2F3N
SMILES c1([n](c(c(c1C(F)(F)F)Br)-c1cccc2c1cccc2)Cc1ccccc1)Br
SPLASH splash10-0006-9000010000-3069c843f36e7a3e5f2d
Source of Spectrum CN108047114A
Wiley ID 1870530