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1,4-bis(trifluoromethyl)-2,3-bis(p-chloromethylphenyl)butane
SpectraBase Compound ID FfAT1XMaPX9
InChI InChI=1S/C20H18Cl2F6/c21-11-13-1-5-15(6-2-13)17(9-19(23,24)25)18(10-20(26,27)28)16-7-3-14(12-22)4-8-16/h1-8,17-18H,9-12H2
InChIKey MJGLSAQUIWGJNM-UHFFFAOYSA-N
Mol Weight 443.26 g/mol
Molecular Formula C20H18Cl2F6
Exact Mass 442.068975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66qnd8zewWm
Name 1,4-bis(trifluoromethyl)-2,3-bis(p-chloromethylphenyl)butane
Appearance White solid
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Formula C20H18Cl2F6
InChI InChI=1S/C20H18Cl2F6/c21-11-13-1-5-15(6-2-13)17(9-19(23,24)25)18(10-20(26,27)28)16-7-3-14(12-22)4-8-16/h1-8,17-18H,9-12H2
InChIKey MJGLSAQUIWGJNM-UHFFFAOYSA-N
Ionization Type EI positive ion
Literature Reference DOI 10.1002/adsc.202100828
Molecular Weight 443.260 g/mol
Reported Formula C20H18Cl2F6
SMILES c1cc(ccc1CCl)C(CC(F)(F)F)C(c1ccc(cc1)CCl)CC(F)(F)F
SPLASH splash10-00di-0980000000-b2a2ae69c91740629cac
Source of Spectrum ASC-364-SM43-2f
Wiley ID 1875168