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1,4-bis(trifluoromethyl)-2,3-bis(p-chlorophenyl)butane
SpectraBase Compound ID 3MokqL9FzUJ
InChI InChI=1S/C18H14Cl2F6/c19-13-5-1-11(2-6-13)15(9-17(21,22)23)16(10-18(24,25)26)12-3-7-14(20)8-4-12/h1-8,15-16H,9-10H2
InChIKey JVFIVAGZAZLZSN-UHFFFAOYSA-N
Mol Weight 415.21 g/mol
Molecular Formula C18H14Cl2F6
Exact Mass 414.037675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cxGOD1IpLo
Name 1,4-bis(trifluoromethyl)-2,3-bis(p-chlorophenyl)butane
Appearance Pale yellow solid
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Formula C18H14Cl2F6
InChI InChI=1S/C18H14Cl2F6/c19-13-5-1-11(2-6-13)15(9-17(21,22)23)16(10-18(24,25)26)12-3-7-14(20)8-4-12/h1-8,15-16H,9-10H2
InChIKey JVFIVAGZAZLZSN-UHFFFAOYSA-N
Ionization Type EI positive ion
Literature Reference DOI 10.1002/adsc.202100828
Molecular Weight 415.206 g/mol
Reported Formula C18H14Cl2F6
SMILES c1cc(ccc1Cl)C(CC(F)(F)F)C(c1ccc(cc1)Cl)CC(F)(F)F
SPLASH splash10-0a4i-0890000000-157bf262434eb2ee69d1
Source of Spectrum ASC-364-SM52-2h
Wiley ID 1875171