Table 2.

1H NMR chemical shift and coupling constants for H-DNP, 1,5-dinitro-3-methyl-3-aza-bicyclo[3.3.1]-nonene-(6)-one-(8) (a derivative of H-DNP) (compound 1), and 3-[H]-2,4-dinitroaniline (compound 2)  

PositionH-DNP in D2OaH-DNP in DMSO-d6a,bCompound 1 in CDCl3cCompound 2 in DMSO-d6b,d
H3, H3′ 3.84 ppm (s )e 3.34 ppm (s)3.57 ppm (s)
H5 7.50 ppm (d )f 7.33 ppm (d)7.42 ppm (dd)7.39 ppm (d)
H6 5.90 ppm (d)5.08 ppm (d)6.45 ppm (d)5.16 ppm (d)
3J(H5H6) = 10.2 Hz 3J(H5H6) = 9.2 Hz 3J(H5H6) = 10.5 Hz 3J(H5H6) = 10 Hzg
  • a Data from this study.

  • b DMSO-d6, dimethyl sulfoxide d6.

  • c Data from reference 24.

  • d Data from reference 7.

  • e s, singlet.

  • f d, doublet.

  • g The value was estimated from the graph.