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4,4'-bis(2-(Trifluoromethyl)aziridin-1-yl)-1,1'-biphenyl
SpectraBase Compound ID 4J0weZ24MRW
InChI InChI=1S/C18H14F6N2/c19-17(20,21)15-9-25(15)13-5-1-11(2-6-13)12-3-7-14(8-4-12)26-10-16(26)18(22,23)24/h1-8,15-16H,9-10H2
InChIKey ULHYVGYTPGCXLG-UHFFFAOYSA-N
Mol Weight 372.31 g/mol
Molecular Formula C18H14F6N2
Exact Mass 372.106117 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQxN2Sp5kb7
Name 4,4'-bis(2-(Trifluoromethyl)aziridin-1-yl)-1,1'-biphenyl
Appearance White powder
Carrier Gas Helium
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Exact Mass 372.106117437 u
Formula C18H14F6N2
InChI InChI=1S/C18H14F6N2/c19-17(20,21)15-9-25(15)13-5-1-11(2-6-13)12-3-7-14(8-4-12)26-10-16(26)18(22,23)24/h1-8,15-16H,9-10H2
InChIKey ULHYVGYTPGCXLG-UHFFFAOYSA-N
Instrument Name Agilent 5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.201802347
Molecular Weight 372.314 g/mol
Quality 278
Reported Formula C18H15F6N2
SMILES C(C1N(C1)C1=CC=C(C=C1)C1=CC=C(C=C1)N1CC1C(F)(F)F)(F)(F)F
SPLASH splash10-00di-1649000000-9b26d898fadddd55857f
Source of Spectrum ACI-57-SM26-3r (DOI: 10.1002/anie.201802347)
Thin-Layer Chromatography 0.22 (hexanes/EtOAc, 10:1)
Wiley ID 1891055