Table 1: 1H (300 MHz) and 13C (75.47 MHz) NMR spectral data for 2 in DMSO-d6, including results obtained by homonuclear 2D shift-correlated 1H COSY and heteronuclear 2D shift-correlated HMQC (1JCH)a.

Chemical shifts (δ, ppm) and coupling constants (J, Hz, in parenthesis)b.

 

Position

Hδ

Cδ

Correlation

1H-1H

Correlation

1H-13C

(NH) 1

6.29 (s)

-

1-H

-

2

-

56.66

-

-

3

3.35, 3.45 (AB (2dd), 10.8; 5.6)

64.85

H1-3, H2-3, O-H

H1-3, H2-3, C-3

(OH) 4

4.92 (t, 5.6)

-

O-H, H1-3, H2-3

-

5

1.18 (s)

20.43

H1-5, H2-5, H3-5

H1,2,3-5 ; C-5

6

4.35, 4.51 (AB, 14)

51.74

H1-6, H2-6

H1-6, H2-6, C-6

9

7.95 (s)

151.61

H3'triazole -9

H3'triazole -9, C-9

11

8.23 (s)

145.24

H5'-triazole -11

H5'-triazole -11, C-11

12

-

154.97

-

-

14

-

78.43

-

-

 

15; 17; 18

 

1.39 (s)

 

28.68

 

H1,2,3-15

H1,2,3-17

H1,2,3-18

H1,2,3-15 ; C-15

H1,2,3-17; C-17

H1,2,3-18 ; C-18

 

aCorrelation from C to the indicated hydrogens.

bChemical shifts and coupling constants (J) obtained of 1D 1H-NMR spectrum.