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1-(2,6-dinitro-alpha,alpha,alpha-trifluoro-p-tolyl)hexahydro-3,3,5-trimethyl-1H-azepine
SpectraBase Compound ID Ke8JTTntp4h
InChI InChI=1S/C16H20F3N3O4/c1-10-4-5-20(9-15(2,3)8-10)14-12(21(23)24)6-11(16(17,18)19)7-13(14)22(25)26/h6-7,10H,4-5,8-9H2,1-3H3
InChIKey DNLYKRBIDIHFQR-UHFFFAOYSA-N
Mol Weight 375.35 g/mol
Molecular Formula C16H20F3N3O4
Exact Mass 375.140591 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I9LQWUVnLtH
Name 1-(2,6-dinitro-alpha,alpha,alpha-trifluoro-p-tolyl)hexahydro-3,3,5-trimethyl-1H-azepine
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Formula C16H20F3N3O4
InChI InChI=1S/C16H20F3N3O4/c1-10-4-5-20(9-15(2,3)8-10)14-12(21(23)24)6-11(16(17,18)19)7-13(14)22(25)26/h6-7,10H,4-5,8-9H2,1-3H3
InChIKey DNLYKRBIDIHFQR-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 33466M
Solvent CDCl3