35

δ(Cα=O)

630

629

636

636

47.5

7.05

6a(30) + δ(Cα=O)(17) + 9b(16)

36

δ(Cα-OH)

-

-

463

471

20

4.82

6a(30) + δ(Cα=O)(17) + δ(Cα-OH)(16)

37

w(OH)

908

914

907

922

56.25

11.76

w(OH)(55) + 4(16)

38

w(Cα = O)

-

139

140

138

2.17

38.82

w(Cα=O)(62) + τ(CN)(23)

39

τ(CCα)

-

-

48

43

2.16

92

τ(CCα)(94)

Vibrations of methyl group

40

νs(CH3)

2945

2936

3037

2946

57.5

44.78

νs(CH3)(99)

41

νas(CH3)

-

2977

3101

2991

3.33

14.11

νas(CH3)(99)

42

νas(CH3)a"

2990

2991

3114

3005

62.6

14.51

νas(CH3(93)a"

43

δs(CH3)

1370

1378

1398

1384

90

17.64

δs(CH3)(82)

44

δas(CH3)

1448

1449

1405

1460

56.25

17.64

δas(CH3)(79) + 19a(17)

45

δas(CH3)a"

-

-

1515

1480

4.01

4.13

δas(CH3)a"(84)

46

γ(CH3)

1010

1005

1028

1017

17.5

3.52

γ(CH3)(52) + δas(CH3)(16)

47

γ(CH3)a"

-

1031

1034

1073

5.83

2.94

γ(CH3)a"(66) + δas(CH3)a"(19)

48

τ(CCʹ)

-

86

100

99

70.58

0.68

τ(CCʹ)(82)

Vibrations of nitro group

49

νs(NO2)

1354

1352

1352

1356

85

100

νs(NO2)(37) + 14(19) + 7a(19)

50

νas(NO2)

1533

1535

1523

1531

97.5

32.94

νas(NO2)(69) + 19b(16)

51

δ(NO2)

761

778

745

769

45

4.7

1(35) + δ(NO2)(28) + 12(14)

52

γ(NO2)

532

-

513

514

45

6.2

γ(NO2)(31) + 6b(28) + 9b(14)

53

ω(NO2)

-

-

677

665

1.21

2.06

4(54) + ω(NO2)(13) + 10a(12)

54

τ(CN)

-

-

42

40

0.89

2.184

τ(CN)(62) + τ(CC')(25)