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This molecule without stereoconfiguration:

This molecule with other stereoconfigurations:


General   NMReDATA_chemie koeln_Classics in Spectroscopy/Dimethylsulphoxide-D6 (DMSO-D6, C2D6SO)  
Spectral Data   Additional Data   Download  
Type: 1H 700.1500244140625 Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
6'''-H 1.07 (H 56, H 57, H 58)
4''-H 3.12 (H 45)
4'''-H 3.14 (H 51)
2''-H 3.21 (H 47)
3''-H 3.26 (H 46)
3-H 3.27 (H 68), 2.77 (H 69)
5'''-H 3.39 (H 55)
3'''-H (2.2) 3.42 (H 50)
5''-H (1.9,8.3) 3.53 (H 44)
2'''-H 3.62 (H 48)
7'-H 3.76 (H 75, H 76, H 77)
6''-H 3.79 (H 53), 3.42 (H 54)
OH-3'''-H 4.46 (H 63)
1'''-H 4.51 (H 49)
OH-2'''-H 4.59 (H 62)
OH-4'''-H 4.67 (H 64)
1''-H 4.96 (H 52)
OH-3''-H 5.15 (H 60)
OH-4''-H 5.17 (H 59)
OH-2''-H 5.38 (H 61)
2-H DD (12.3,3.0) 5.49 (H 67)
8-H D (12.3) 6.11 (H 65)
6-H D (2.2,3.0) 6.13 (H 66)
6'-H DD 6.89 (H 71)
2'-H D (1.9) 6.93 (H 70)
5'-H D (8.3) 6.93 (H 73)
OH-3'-H 9.08 (H 74)
OH-5-H 12.01 (H 72)

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Spectral Data   Additional Data   Download  
Type: H,H-COSY 700.1500244140625 Double click to get resizeable window!
Axis: 1 (H)
Axis: 2 (H)
Atom
Shift
Atom
Shift
34 2.77 34 3.27
17 3.12 16 3.53
17 3.12 18 3.26
17 3.12 4 5.17
23 3.14 22 3.42
23 3.14 10 4.67
19 3.21 7 5.38
18 3.26 6 5.15
18 3.26 19 3.21
34 3.27 33 5.49
26 3.39 27 1.07
26 3.39 23 3.14
25 3.42 25 3.79
22 3.42 9 4.46
16 3.53 25 3.79
20 3.62 8 4.59
20 3.62 21 4.51
20 3.62 22 3.42
24 4.96 19 3.21
33 5.49 34 2.77

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Spectral Data   Additional Data   Download  
Type: H,C-HSQC 700.1500244140625 Double click to get resizeable window!
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Shift
27 1.07 17.8
34 2.77 42.1
17 3.12 69.6
23 3.14 72.1
19 3.21 73.0
18 3.26 76.3
34 3.27 42.1
26 3.39 68.4
25 3.42 66.0
22 3.42 70.8
16 3.53 75.6
20 3.62 70.3
43 3.76 55.8
25 3.79 66.0
21 4.51 100.6
24 4.96 99.5
33 5.49 78.4
29 6.11 95.5
31 6.13 96.4
39 6.89 118.0
38 6.93 114.2
41 6.93 112.1

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Spectral Data   Additional Data   Download  
Type: H,C-HMBC 700.1500244140625 Double click to get resizeable window!
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Atom
Shift
27 1.07 26 68.4
27 1.07 23 72.1
34 2.77 36 197.0
34 2.77 37 131.0
34 2.77 32 103.3
17 3.12 25 66.0
23 3.14 27 17.8
23 3.14 26 68.4
23 3.14 22 70.8
19 3.21 24 99.5
19 3.21 18 76.3
34 3.27 36 197.0
34 3.27 37 131.0
26 3.39 27 17.8
26 3.39 22 70.8
26 3.39 23 72.1
25 3.42 21 100.6
25 3.42 16 75.6
16 3.53 17 69.6
16 3.53 25 66.0
16 3.53 18 76.3
16 3.53 24 99.5
20 3.62 22 70.8
20 3.62 23 72.1
20 3.62 16 75.6
43 3.76 42 148.0
25 3.79 21 100.6
25 3.79 17 69.6
25 3.79 16 75.6
9 4.46 20 70.3
9 4.46 22 70.8
21 4.51 25 66.0
21 4.51 26 68.4
21 4.51 22 70.8
8 4.59 21 100.6
8 4.59 20 70.3
10 4.67 26 68.4
10 4.67 23 72.1
24 4.96 28 165.2
24 4.96 16 75.6
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Atom
Shift
6 5.15 19 73.0
6 5.15 18 76.3
4 5.17 16 75.6
4 5.17 17 69.6
7 5.38 24 99.5
7 5.38 18 76.3
7 5.38 19 73.0
33 5.49 38 114.2
33 5.49 39 118.0
33 5.49 37 131.0
33 5.49 36 197.0
33 5.49 34 42.1
33 5.49 30 162.5
29 6.11 28 165.2
29 6.11 30 162.5
29 6.11 31 96.4
29 6.11 32 103.3
29 6.11 36 197.0
31 6.13 28 165.2
31 6.13 35 163.0
31 6.13 29 95.5
31 6.13 32 103.3
39 6.89 42 148.0
39 6.89 38 114.2
39 6.89 33 78.4
41 6.93 40 146.5
38 6.93 42 148.0
38 6.93 37 131.0
38 6.93 39 118.0
38 6.93 33 78.4
15 9.08 42 148.0
15 9.08 40 146.5
15 9.08 38 114.2
12 12.01 35 163.0
12 12.01 32 103.3
12 12.01 36 197.0

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Spectral Data   Additional Data   Download  
Type: H,H-NOESY 700.1500244140625 Double click to get resizeable window!
Axis: 1 (H)
Axis: 2 (H)
Atom
Shift
Atom
Shift
34 2.77 34 3.27
17 3.12 4 5.17
19 3.21 7 5.38
18 3.26 7 5.38
18 3.26 4 5.17
34 3.27 38 6.93
25 3.42 25 3.79
20 3.62 8 4.59
43 3.76 41 6.93
24 4.96 31 6.13
24 4.96 29 6.11
33 5.49 38 6.93
33 5.49 39 6.89
31 6.13 12 12.01
38 6.93 15 9.08

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Spectral Data   Additional Data   Download  
Type: APT 175.0 Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
6''' Q 17.8
3 T 42.1
7' Q 55.8
6'' T 66.0
5''' D 68.4
4'' D 69.6
2''' D 70.3
3''' D 70.8
4''' D 72.1
2'' D 73.0
5'' D 75.6
3'' D 76.3
2 D 78.4
1'' D 95.5
6 D 96.4
1'' D 99.5
1''' D 100.6
10 S 103.3
5' D 112.1
2' D 114.2
6' D 118.0
1' S 131.0
3' S 146.5
4' S 148.0
9 S 162.5
5 S 163.0
7 S 165.2
4 S 197.0

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