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(E)-2-Ethyl-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-imidazole
SpectraBase Compound ID IbxPrrpy05u
InChI InChI=1S/C8H9F3N2/c1-2-7-12-4-6-13(7)5-3-8(9,10)11/h3-6H,2H2,1H3/b5-3+
InChIKey DXPQGHYQIJHBTM-HWKANZROSA-N
Mol Weight 190.17 g/mol
Molecular Formula C8H9F3N2
Exact Mass 190.071783 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MqMQL4wViD
Name (E)-2-Ethyl-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-imidazole
Appearance Pale-yellow liquid
Carrier Gas Helium
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Exact Mass 190.071782787 u
Formula C8H9F3N2
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C8H9F3N2/c1-2-7-12-4-6-13(7)5-3-8(9,10)11/h3-6H,2H2,1H3/b5-3+
InChIKey DXPQGHYQIJHBTM-HWKANZROSA-N
Instrument Name Agilent 6890N-Agilent 5973
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202102840
Molecular Weight 190.169 g/mol
Quality 297
Reported Formula C8H9N2F3
SMILES C(C)C=1N(C=CN1)\C=C\C(F)(F)F
SPLASH splash10-00dl-2900000000-2978cbdff7862ea823a3
Source of Spectrum QE-27-SM34-25 (DOI: 10.1002/chem.202102840)
Thin-Layer Chromatography 0.23 (hexanes/EtOAc, 1:1)
Wiley ID 1904229