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1-benzyl-2-(4-bromophenyl)4-trifluoromethyl-3,5-dibromo-pyrrole
SpectraBase Compound ID EsFUK2ktSeD
InChI InChI=1S/C18H11Br3F3N/c19-13-8-6-12(7-9-13)16-15(20)14(18(22,23)24)17(21)25(16)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey MCCQQTZZZQLBOK-UHFFFAOYSA-N
Mol Weight 538.0 g/mol
Molecular Formula C18H11Br3F3N
Exact Mass 534.839373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2eyseyaMw4M
Name 1-benzyl-2-(4-bromophenyl)4-trifluoromethyl-3,5-dibromo-pyrrole
Appearance White solid
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Formula C18H11Br3F3N
InChI InChI=1S/C18H11Br3F3N/c19-13-8-6-12(7-9-13)16-15(20)14(18(22,23)24)17(21)25(16)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey MCCQQTZZZQLBOK-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 538.000 g/mol
Reported Formula C18H12Br3F3N
SMILES c1([n](c(c(c1C(F)(F)F)Br)-c1ccc(cc1)Br)Cc1ccccc1)Br
SPLASH splash10-0006-9000010000-41d0a15a602c77103b88
Source of Spectrum CN108047114A
Wiley ID 1870548