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Trans-1-cyclohexyl-2-phenyl-3-(trifluoromethyl)aziridine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Trans-1-cyclohexyl-2-phenyl-3-(trifluoromethyl)aziridine
SpectraBase Compound ID AKjVp3GbZUw
InChI InChI=1S/C15H18F3N/c16-15(17,18)14-13(11-7-3-1-4-8-11)19(14)12-9-5-2-6-10-12/h1,3-4,7-8,12-14H,2,5-6,9-10H2/t13-,14+,19?/m1/s1
InChIKey ZIZGAAPLTUPXQH-YCENCERGSA-N
Mol Weight 269.31 g/mol
Molecular Formula C15H18F3N
Exact Mass 269.139134 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6AM4rdAWzD
Name Trans-1-cyclohexyl-2-phenyl-3-(trifluoromethyl)aziridine
Comments Computed using HOSE algorithm
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Exact Mass 269.139134073 u
Formula C15H18F3N
InChI InChI=1S/C15H18F3N/c16-15(17,18)14-13(11-7-3-1-4-8-11)19(14)12-9-5-2-6-10-12/h1,3-4,7-8,12-14H,2,5-6,9-10H2/t13-,14+,19?/m1/s1
InChIKey ZIZGAAPLTUPXQH-YCENCERGSA-N
Molecular Weight 269.311 g/mol
SMILES [C@@]1([C@](N1C1CCCCC1)(C1=CC=CC=C1)[H])(C(F)(F)F)[H]