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4-Bromo-N-(2-chloro-2,3,3,3-tetrafluoropropyl)aniline
SpectraBase Compound ID 7DoRu3j5a4p
InChI InChI=1S/C9H7BrClF4N/c10-6-1-3-7(4-2-6)16-5-8(11,12)9(13,14)15/h1-4,16H,5H2
InChIKey LGFNFNIKXLNWFB-UHFFFAOYSA-N
Mol Weight 320.51 g/mol
Molecular Formula C9H7BrClF4N
Exact Mass 318.938653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KjZdlcjAlCP
Name 4-Bromo-N-(2-chloro-2,3,3,3-tetrafluoropropyl)aniline
Appearance Brown oil
Carrier Gas Helium
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Exact Mass 318.938652581 u
Formula C9H7BrClF4N
GC Oven Program Oven temp 200 oC
InChI InChI=1S/C9H7BrClF4N/c10-6-1-3-7(4-2-6)16-5-8(11,12)9(13,14)15/h1-4,16H,5H2
InChIKey LGFNFNIKXLNWFB-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973 GC
Ionization Type EI
Literature Reference DOI 10.1002/anie.202208420
Molecular Weight 320.513 g/mol
Quality 436
Reported Formula C9H7BrClF4N
SMILES N(C=1C=CC(=CC1)Br)CC(F)(Cl)C(F)(F)F
SPLASH splash10-001r-2901000000-dce51e4b867c42aecc69
Source of Spectrum ACI-61-SM47-30 (DOI: 10.1002/anie.202208420)
Thin-Layer Chromatography 0.63 (hexane/ethyl acetate, 4:1)
Wiley ID 1897958