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Table 3 1D and 2D-NMR data of 5 in DMSO (2.504 ppm-1H/39.4 ppm-13C) at 500 MHz

From: Comprehensive spectral identification of key intermediates to the final product of the chiral pool synthesis of radezolid

Atom position

δH [ppm], multiplicity, J HHor J HF [Hz]a

δC [ppm], J CF [Hz]a

HMBC correlations (H→C) a,b

2

154.3

4

3.84 (dd, 1H, J = 8.9, 6.2 Hz)

4.09 (dd, 1H, J = 8.9, 9.1 Hz)

45.9

2, 5, 6

2, 5, 6

5

4.72 (m, 1H);

73.2

6

3.56 (ddd, 1H, J = 12.4, 5.8, 4.0 Hz)

3.68 (ddd, 1H, J = 12.4, 5.4, 3.4 Hz)

61.5

4

4, 5 (w)

OH

5.23 (dd, 1H, J = 5.4, 5.7 Hz)

5, 6

1′

140.1 (d, J CF  = 11.0 Hz)

2′

7.53 (ddd, 1H, J = 11.95, 2.5, 2.2 Hz)

104.6 (d, J CF  = 27.1 Hz)

3′, 6′, 4′, 1′

3′

162.2 (d, J CF  = 241.5 Hz)

4′

6.95 (dddd, 1H, J = 8.4, 8.4, 2.6, 0.9 Hz)

109.6 (d, J CF  = 21.2 Hz)

3′, 6′, 2′

5′

7.43 (ddd, 1H, J = 8.3, 8.3, 6.8 Hz)

130.5 (d, J CF  = 9.6 Hz)

3′, 1′, 6′(w), 2′(w)

6′

7.34 (ddd, 1H, J = 8.3, 2.2, 0.9 Hz)

113.3 (d, J CF  = 2.8 Hz)

2′, 4′

  1. a d doublet, dd doublet of doublets, ddd doublet of doublets of doublets, dddd doublet of doublets of doublets of doublets, m multiplet, w weak
  2. bThis column gives the carbon atoms showing correlation with a given proton