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2-Benzyl-N-(2-chloro-2,3,3,3-tetrafluoropropyl)aniline
SpectraBase Compound ID 6ip3ugSRqp9
InChI InChI=1S/C16H14ClF4N/c17-15(18,16(19,20)21)11-22-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9,22H,10-11H2
InChIKey CXXFIWSQXYLXIP-UHFFFAOYSA-N
Mol Weight 331.74 g/mol
Molecular Formula C16H14ClF4N
Exact Mass 331.07509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Sz6eecSzD1
Name 2-Benzyl-N-(2-chloro-2,3,3,3-tetrafluoropropyl)aniline
Appearance White solid
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.075089807 u
Formula C16H14ClF4N
GC Oven Program Oven temp 200 oC
InChI InChI=1S/C16H14ClF4N/c17-15(18,16(19,20)21)11-22-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9,22H,10-11H2
InChIKey CXXFIWSQXYLXIP-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973 GC
Ionization Type EI
Literature Reference DOI 10.1002/anie.202208420
Molecular Weight 331.742 g/mol
Quality 173
Reported Formula C16H14ClF4N
SMILES N(C1=C(C=CC=C1)CC1=CC=CC=C1)CC(C(F)(F)F)(Cl)F
SPLASH splash10-0002-1901000000-63e9298076b7b37920e9
Source of Spectrum ACI-61-SM44-20 (DOI: 10.1002/anie.202208420)
Thin-Layer Chromatography 0.58 (hexane/ethyl acetate, 4:1)
Wiley ID 1897948