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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  
1H Spectrum
40254643 Rating: 10 (10: nmrshiftdb2 quality check: 10 (accept)/reliability: excellent (nes))
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Spectral Data   Additional Data   Download  
Type: H,H-COSY 700.1500244140625
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
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
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
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
Atom
Mult.(coupling const.)
Meas.
Shift
1' S 131.0
1'' D 99.5
1'' D 95.5
1''' D 100.6
2 D 78.4
2' D 114.2
2'' D 73.0
2''' D 70.3
3 T 42.1
3' S 146.5
3'' D 76.3
3''' D 70.8
4 S 197.0
4' S 148.0
4'' D 69.6
4''' D 72.1
5 S 163.0
5' D 112.1
5'' D 75.6
5''' D 68.4
6 D 96.4
6' D 118.0
6'' T 66.0
6''' Q 17.8
7 S 165.2
7' Q 55.8
9 S 162.5
10 S 103.3

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