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1-(2-Benzylphenyl)-2-(trifluoromethyl)aziridine
SpectraBase Compound ID 2JDunxspWSZ
InChI InChI=1S/C16H14F3N/c17-16(18,19)15-11-20(15)14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChIKey CRUNJQSDDLABJP-UHFFFAOYSA-N
Mol Weight 277.29 g/mol
Molecular Formula C16H14F3N
Exact Mass 277.107834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMA8LrWm5KI
Name 1-(2-Benzylphenyl)-2-(trifluoromethyl)aziridine
Appearance Yellow oil
Carrier Gas Helium
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Exact Mass 277.107833944 u
Formula C16H14F3N
InChI InChI=1S/C16H14F3N/c17-16(18,19)15-11-20(15)14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChIKey CRUNJQSDDLABJP-UHFFFAOYSA-N
Instrument Name Agilent 5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.201802347
Molecular Weight 277.290 g/mol
Quality 216
Reported Formula C16H15F3N
SMILES C1=C(C(=CC=C1)CC1=CC=CC=C1)N1CC1C(F)(F)F
SPLASH splash10-003u-3940000000-027bf487a46122bbd84a
Source of Spectrum ACI-57-SM17-3b (DOI: 10.1002/anie.201802347)
Thin-Layer Chromatography 0.60 (hexanes/EtOAc, 10:1)
Wiley ID 1891038