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Details
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This molecule with other stereoconfigurations:
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 |
| 58.27 | 59.41 |
10
|
|
60.07 |
| 59.56 | 60.77 |
9
|
|
56.75 |
| 56.77 | 57.58 |
8
|
|
58.22 |
| 58.31 | 59.25 |
7
|
|
54.88 |
| 53.47 | 54.86 |
6
|
|
71.04 |
| 71.63 | 71.85 |
5
|
|
69.82 |
| 76.04 | 71.19 |
4
|
|
76.20 |
| 76.29 | 76.47 |
3
|
|
79.51 |
| 82.5 | 81.14 |
2
|
|
75.77 |
| 77.22 | 77.1 |
1
|
|
97.42 |
| 98.82 | 97.47 |
|
Double click upper part to get resizeable window!
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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 |
| 3.41 | 3.34 |
10-H
|
|
3.42 |
| 3.53 | 3.45 |
9-H
|
|
3.39 |
| 3.5 | 3.4 |
8-H
|
|
3.38 |
| 3.48 | 3.42 |
7-H
|
|
3.33 |
| 3.38 | 3.28 |
6-H
|
|
3.63, 3.58 |
| 3.61 | 3.55 |
5-H
|
|
3.61 |
| 3.58 | 3.4 |
4-H
|
|
3.28 |
| 3.43 | 3.38 |
3-H
|
|
3.50 |
| 3.5 | 3.41 |
2-H
|
|
3.73 |
| 3.56 | 3.44 |
1-H
|
|
4.84 |
| 4.81 | 4.59 |
|
Show spectrum in full size
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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 |
|
Show spectrum in full size
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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 |
|
Show spectrum in full size
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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 |
|
Show spectrum in full size
|
|
|
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 |
|
Show spectrum in full size
|
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 |
|
Show spectrum in full size
|
APT Spectrum | 40253472
Rating: 10 |
Type | APT |
Measurement conditions
|
Temperature [K] | 300 |
Solvent | Chloroform-D1 (CDCl3) |
Field Strength [MHz] | 150.0 |
Assignment Method | H,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 categories | ChiuZ |
Report incorrect data
Copy dataset link
DOI for this dataset: 10.18716/nmrshiftdb2/60001973/chiuz_cdcl3
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