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This molecule with other stereoconfigurations:


chemie koeln/Deuteriumoxide (D2O)   chemie koeln/Chloroform-D1 (CDCl3)   chemie koeln/Cyclohexane  
Spectral Data   Additional Data   Download  
Type: 13C 125 Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
chemie koeln
expt-1
chemie koeln
11 58.33 58.2759.41
10 60.07 59.5660.77
9 56.75 56.7757.58
8 58.22 58.3159.25
7 54.88 53.4754.86
6 71.04 71.6371.85
5 69.82 76.0471.19
4 76.20 76.2976.47
3 79.51 82.581.14
2 75.77 77.2277.1
1 97.42 98.8297.47

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Spectral Data   Additional Data   Download  
Type: 1H 500.1300048828125 Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
chemie koeln
expt-1
chemie koeln
11-H 3.33 3.413.34
10-H 3.42 3.533.45
9-H 3.39 3.53.4
8-H 3.38 3.483.42
7-H 3.33 3.383.28
6-H 3.63, 3.58 3.613.55
5-H 3.61 3.583.4
4-H 3.28 3.433.38
3-H 3.50 3.53.41
2-H 3.73 3.563.44
1-H 4.84 4.814.59

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Spectral Data   Additional Data   Download  
Type: H,H-COSY 500.1300048828125 Double click to get resizeable window!
Axis: 1 (H)
Axis: 2 (H)
Atom
Shift
Atom
Shift
1 4.84 2 3.73
2 3.73 3 3.5
6 3.63 6 3.58
6 3.63 5 3.61
5 3.61 4 3.28
3 3.5 4 3.28

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Spectral Data   Additional Data   Download  
Type: H,C-HSQC 500.1300048828125 Double click to get resizeable window!
>
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
8 1.75 41.29
24 1.96 22.26
3 2.24 58.22
7 2.29 41.51
7 2.38 41.51

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Spectral Data   Additional Data   Download  
Type: H,C-HMBC 600.1300048828125
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Atom
Shift
29 0.72 3 58.22
29 0.72 6 42.12
29 0.72 8 41.29
29 0.72 2 59.49
30 0.87 6 42.12
30 0.87 1 213.11
30 0.87 3 58.22
28 0.87 4 53.1
28 0.87 12 37.44
28 0.87 2 59.49
28 0.87 14 35.63
16 0.95 23 28.15
16 0.95 15 35.34
16 0.95 17 32.78
16 0.95 20 31.76
20 1.0 23 28.15
25 1.0 11 38.36
25 1.0 9 39.69
25 1.0 4 53.1
25 1.0 18 32.42
20 1.0 15 35.34
20 1.0 17 32.78
20 1.0 16 35.0
26 1.05 11 38.36
26 1.05 9 39.69
26 1.05 21 30.49
26 1.05 5 42.8
19 1.18 22 29.98
19 1.18 13 36.01
19 1.18 5 42.8
19 1.18 10 39.24
15 1.21 5 42.8
15 1.21 22 29.98
15 1.21 17 32.78
21 1.35 26 18.63
14 1.46 9 39.69
14 1.46 4 53.1
14 1.46 28 17.92
10 1.5 23 28.15
2 1.52 4 53.1
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Atom
Shift
2 1.52 3 58.22
5 1.55 15 35.34
13 1.55 18 32.42
5 1.55 26 18.63
24 1.68 1 213.11
24 1.68 2 59.49
24 1.68 7 41.51
8 1.75 4 53.1
8 1.75 27 18.23
8 1.75 24 22.26
8 1.75 2 59.49
8 1.75 6 42.12
24 1.96 1 213.11
24 1.96 12 37.44
24 1.96 2 59.49
3 2.24 1 213.11
3 2.24 30 6.79
3 2.24 29 14.64
3 2.24 2 59.49
3 2.24 6 42.12
7 2.29 1 213.11
7 2.38 1 213.11
7 2.38 3 58.22
7 2.38 2 59.49
7 2.38 24 22.26
7 2.38 12 37.44
7 2.38 30 6.79

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Spectral Data   Additional Data   Download  
Type: H,C-HMBC 600.1300048828125
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Atom
Shift
29 0.72 3 58.22
29 0.72 6 42.12
29 0.72 8 41.29
29 0.72 2 59.49
30 0.87 6 42.12
30 0.87 1 213.11
30 0.87 3 58.22
28 0.87 4 53.1
28 0.87 12 37.44
28 0.87 2 59.49
28 0.87 14 35.63
16 0.95 23 28.15
16 0.95 15 35.34
16 0.95 17 32.78
16 0.95 20 31.76
20 1.0 23 28.15
25 1.0 11 38.36
25 1.0 9 39.69
25 1.0 4 53.1
25 1.0 18 32.42
20 1.0 15 35.34
20 1.0 17 32.78
20 1.0 16 35.0
26 1.05 11 38.36
26 1.05 9 39.69
26 1.05 21 30.49
26 1.05 5 42.8
19 1.18 22 29.98
19 1.18 13 36.01
19 1.18 5 42.8
19 1.18 10 39.24
15 1.21 5 42.8
15 1.21 22 29.98
15 1.21 17 32.78
21 1.35 26 18.63
14 1.46 9 39.69
14 1.46 4 53.1
14 1.46 28 17.92
10 1.5 23 28.15
2 1.52 4 53.1
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Atom
Shift
2 1.52 3 58.22
5 1.55 15 35.34
13 1.55 18 32.42
5 1.55 26 18.63
24 1.68 1 213.11
24 1.68 2 59.49
24 1.68 7 41.51
8 1.75 4 53.1
8 1.75 27 18.23
8 1.75 24 22.26
8 1.75 2 59.49
8 1.75 6 42.12
24 1.96 1 213.11
24 1.96 12 37.44
24 1.96 2 59.49
3 2.24 1 213.11
3 2.24 30 6.79
3 2.24 29 14.64
3 2.24 2 59.49
3 2.24 6 42.12
7 2.29 1 213.11
7 2.38 1 213.11
7 2.38 3 58.22
7 2.38 2 59.49
7 2.38 24 22.26
7 2.38 12 37.44
7 2.38 30 6.79

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Spectral Data   Additional Data   Download  
Type: H,H-NOESY 600.1300048828125
Axis: 1 (H)
Axis: 2 (H)
Atom
Shift
Atom
Shift
28 0.87 29 0.72
25 1.0 28 0.87
19 1.18 25 1.0
15 1.21 20 1.0
14 1.28 26 1.05
8 1.28 27 1.49
21 1.35 30 0.87
21 1.35 26 1.05
21 1.35 25 1.0
13 1.36 26 1.05
13 1.36 15 1.21
4 1.39 30 0.87
27 1.39 29 0.72
27 1.39 25 1.0
14 1.46 28 0.87
17 1.48 16 0.95
27 1.49 20 1.0
27 1.49 19 1.18
27 1.49 10 0.94
5 1.55 25 1.0
5 1.55 19 1.18
24 1.68 29 0.72
24 1.68 30 0.87
8 1.75 29 0.72
8 1.75 30 0.87
8 1.75 27 1.49
8 1.75 27 1.39
24 1.96 14 1.46
24 1.96 24 1.68
3 2.24 30 0.87
3 2.24 18 1.29
3 2.24 13 1.55

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Spectral Data   Additional Data   Download  
APT Spectrum
40253472 Rating: 10
TypeAPT
Measurement conditions
Temperature [K]300
SolventChloroform-D1 (CDCl3)
Field Strength [MHz]150.0
Assignment MethodH,C-HMBC, H,C-HSQC, H,H-NOESY, H,H-COSY, APT, 1H
Literature Raina Seupel; Hans-Ullrich Siehl; Alexander Roth; Stefan Berger; Klaus-Peter Zeller; Dieter Sicker; Katrin Steinke: Friedelin aus Kork, in: Chemie in unserer Zeit, vol. 48/2014, pp. 60 - 72 (DOI: 10.1002/ciuz.201400690).
Additional comments
Additional information
Spectrum categoriesChiuZ




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DOI for this dataset: 10.18716/nmrshiftdb2/60001973/chiuz_cdcl3
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