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(E)-6-Bromo-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-indazole
SpectraBase Compound ID DMPIErjGGM9
InChI InChI=1S/C10H6BrF3N2/c11-8-2-1-7-6-15-16(9(7)5-8)4-3-10(12,13)14/h1-6H/b4-3+
InChIKey USMNLFAYVKOPPS-ONEGZZNKSA-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 38rozkno7Cs
Name (E)-6-Bromo-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-indazole
Appearance Off-white 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/c11-8-2-1-7-6-15-16(9(7)5-8)4-3-10(12,13)14/h1-6H/b4-3+
InChIKey USMNLFAYVKOPPS-ONEGZZNKSA-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 382
Reported Formula C10H6N2BrF3
SMILES C=1(Br)C=CC2=C(C1)N(N=C2)\C=C\C(F)(F)F
SPLASH splash10-0006-1390000000-54d03b98af4dc41618c7
Source of Spectrum QE-27-SM41-37 (DOI: 10.1002/chem.202102840)
Thin-Layer Chromatography 0.53 (hexanes/EtOAc, 5:1)
Wiley ID 1904246