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N-(2-Chloro-2,3,3,3-tetrafluoropropyl)-2-(hex-1-yn-1-yl)aniline
SpectraBase Compound ID 4PzTPbM9iCv
InChI InChI=1S/C15H16ClF4N/c1-2-3-4-5-8-12-9-6-7-10-13(12)21-11-14(16,17)15(18,19)20/h6-7,9-10,21H,2-4,11H2,1H3
InChIKey MVUBZRXMQDPEPX-UHFFFAOYSA-N
Mol Weight 321.75 g/mol
Molecular Formula C15H16ClF4N
Exact Mass 321.09074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3fiKraRuCd
Name N-(2-Chloro-2,3,3,3-tetrafluoropropyl)-2-(hex-1-yn-1-yl)aniline
Appearance Yellow oil
Carrier Gas Helium
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Exact Mass 321.090739871 u
Formula C15H16ClF4N
GC Oven Program Oven temp 200 oC
InChI InChI=1S/C15H16ClF4N/c1-2-3-4-5-8-12-9-6-7-10-13(12)21-11-14(16,17)15(18,19)20/h6-7,9-10,21H,2-4,11H2,1H3
InChIKey MVUBZRXMQDPEPX-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973 GC
Ionization Type EI
Literature Reference DOI 10.1002/anie.202208420
Molecular Weight 321.747 g/mol
Quality 378
Reported Formula C15H16ClF4N
SMILES N(C=1C=CC=CC1C#CCCCC)CC(F)(Cl)C(F)(F)F
SPLASH splash10-00m3-0901000000-a26cf3bc7dae6d7eac25
Source of Spectrum ACI-61-SM44-21 (DOI: 10.1002/anie.202208420)
Thin-Layer Chromatography 0.61 (hexane/ethyl acetate, 10:1)
Wiley ID 1897949