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(E)-5-Bromo-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-pyrrolo[2,3-b]pyridine
SpectraBase Compound ID 5Byc8OmIwCN
InChI InChI=1S/C10H6BrF3N2/c11-8-5-7-1-3-16(9(7)15-6-8)4-2-10(12,13)14/h1-6H/b4-2+
InChIKey VDUGTKJPABVTPB-DUXPYHPUSA-N
Mol Weight 291.07 g/mol
Molecular Formula C10H6BrF3N2
Exact Mass 289.966646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZZlynymBcJ
Name (E)-5-Bromo-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-pyrrolo[2,3-b]pyridine
Appearance Dark green solid
Carrier Gas Helium
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Exact Mass 289.966645690 u
Formula C10H6BrF3N2
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C10H6BrF3N2/c11-8-5-7-1-3-16(9(7)15-6-8)4-2-10(12,13)14/h1-6H/b4-2+
InChIKey VDUGTKJPABVTPB-DUXPYHPUSA-N
Instrument Name Agilent 6890N-Agilent 5973
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202102840
Molecular Weight 291.071 g/mol
Quality 542
Reported Formula C10H6F3N2Br
SMILES C=1(Br)C=C2C(=NC1)N(C=C2)\C=C\C(F)(F)F
SPLASH splash10-00xr-9350000000-44ecc4b609c3110a218f
Source of Spectrum QE-27-SM38-32 (DOI: 10.1002/chem.202102840)
Thin-Layer Chromatography 0.48 (hexanes/EtOAc, 5:1)
Wiley ID 1904241