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3-Chloro-N-(2-chloro-2,3,3,3-tetrafluoropropyl)aniline
SpectraBase Compound ID 8U7RtlUvJ1B
InChI InChI=1S/C9H7Cl2F4N/c10-6-2-1-3-7(4-6)16-5-8(11,12)9(13,14)15/h1-4,16H,5H2
InChIKey BXUROFRPCMBUDV-UHFFFAOYSA-N
Mol Weight 276.06 g/mol
Molecular Formula C9H7Cl2F4N
Exact Mass 274.989167 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7q2KH8diaYC
Name 3-Chloro-N-(2-chloro-2,3,3,3-tetrafluoropropyl)aniline
Appearance Yellow oil
Carrier Gas Helium
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Exact Mass 274.989167281 u
Formula C9H7Cl2F4N
GC Oven Program Oven temp 200 oC
InChI InChI=1S/C9H7Cl2F4N/c10-6-2-1-3-7(4-6)16-5-8(11,12)9(13,14)15/h1-4,16H,5H2
InChIKey BXUROFRPCMBUDV-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973 GC
Ionization Type EI
Literature Reference DOI 10.1002/anie.202208420
Molecular Weight 276.062 g/mol
Quality 310
Reported Formula C9H7Cl2F4N
SMILES N(C=1C=CC=C(C1)Cl)CC(F)(Cl)C(F)(F)F
SPLASH splash10-0006-1910000000-3a4c1a7176a5499f3d0f
Source of Spectrum ACI-61-SM45-23 (DOI: 10.1002/anie.202208420)
Thin-Layer Chromatography 0.43 (hexane/ethyl acetate, 4:1)
Wiley ID 1897951