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This molecule without stereoconfiguration: This molecule with other stereoconfigurations:
Classics in Spectroscopy_NMReDATA/Chloroform-D1 (CDCl3)
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Type: 13C 150.0
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|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 Classics in Spectroscopy;NMReDATA |
1
|
S |
169.28 |
| 169.28 |
2
|
S |
142.23 |
| 142.23 |
3
|
S |
140.45 |
| 140.45 |
4
|
S |
132.72 |
| 132.72 |
5
|
D |
128.56 |
| 128.56 |
6
|
D |
127.34 |
| 127.34 |
7
|
D |
124.66 |
| 124.66 |
8
|
D |
122.26 |
| 122.26 |
9
|
D |
116.23 |
| 116.23 |
10
|
D |
76.85 |
| 76.85 |
11
|
T |
64.60 |
| 64.6 |
12
|
D |
60.28 |
| 60.28 |
13
|
D |
60.10 |
| 60.1 |
14
|
T |
52.68 |
| 52.68 |
15
|
S |
51.96 |
| 51.96 |
16
|
T |
50.35 |
| 50.35 |
17
|
D |
48.22 |
| 48.22 |
18
|
T |
42.85 |
| 42.85 |
19
|
T |
42.28 |
| 42.28 |
20
|
D |
31.60 |
| 31.6 |
21
|
T |
26.84 |
| 26.84 |
|
Show spectrum in full size
|
Type: 13C 150.0
|
|
Atom |
Mult.(coupling const.) |
Meas. Shift |
| expt-0 Classics in Spectroscopy;NMReDATA |
1
|
D |
122.26 |
| 122.26 |
2
|
D |
124.66 |
| 124.66 |
3
|
D |
128.56 |
| 128.56 |
4
|
D |
116.23 |
| 116.23 |
5
|
S |
142.23 |
| 142.23 |
6
|
S |
132.72 |
| 132.72 |
7
|
S |
51.96 |
| 51.96 |
8
|
D |
60.10 |
| 60.1 |
10
|
S |
169.28 |
| 169.28 |
11
|
T |
42.28 |
| 42.28 |
12
|
D |
76.85 |
| 76.85 |
13
|
D |
48.22 |
| 48.22 |
14
|
D |
31.60 |
| 31.6 |
15
|
T |
26.84 |
| 26.84 |
16
|
D |
60.28 |
| 60.28 |
17
|
T |
42.85 |
| 42.85 |
18
|
T |
50.35 |
| 50.35 |
20
|
T |
52.68 |
| 52.68 |
21
|
S |
140.45 |
| 140.45 |
22
|
D |
127.34 |
| 127.34 |
23
|
T |
64.60 |
| 64.6 |
|
Show spectrum in full size
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Type: 1H 600.0
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|
Atom |
Mult.(coupling const.) |
Meas. Shift |
1-H
|
(1.08,7.49,0.23) |
7.17 |
2-H
|
(7.44,0.98,7.49) |
7.11 |
3-H
|
(7.9,7.44,1.08) |
7.27 |
4-H
|
(7.9,0.98,0.23) |
8.10 |
8-H
|
(10.41) |
3.87 (H 26) |
11-H
|
(3.34,-17.34); (-17.34,8.47) |
3.14, 2.67 |
12-H
|
(3.3,3.34,8.47) |
4.30 (H 27) |
13-H
|
(10.41,3.3,3.29) |
1.28 (H 29) |
14-H
|
(0.47,1.61,4.11,1.96,3.29) |
3.16 (H 28) |
15-H
|
(4.11,4.33,-14.35); (1.96,-14.35,2.42) |
2.37, 1.47 |
16-H
|
(4.33,2.42) |
3.97 |
17-H
|
(5.5,7.2,-13.9); (-13.9,3.2,10.7) |
1.89 |
18-H
|
(-13.9,5.5,3.2); (-13.9,7.2,10.7) |
3.22, 2.89 |
20-H
|
(1.61,1.79,-14.8); (-14.8) |
3.73, 2.74 |
22-H
|
(0.47,7.0,6.1,1.79) |
5.92 |
23-H
|
(7.0,-13.8); (6.1,-13.8) |
4.16, 4.08 |
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Show spectrum in full size
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Type: H,H-COSY 600.1300048828125
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Axis: 1 (H) |
Axis: 2 (H) |
Atom |
Shift |
Atom |
Shift |
|
21
|
1.47 |
21
|
2.37 |
21
|
1.47 |
12
|
3.97 |
18
|
1.89 |
16
|
3.22 |
16
|
2.89 |
18
|
1.89 |
19
|
3.14 |
19
|
2.67 |
20
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3.16 |
21
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2.37 |
20
|
3.16 |
17
|
1.28 |
16
|
3.22 |
16
|
2.89 |
14
|
3.73 |
14
|
2.74 |
13
|
3.87 |
17
|
1.28 |
12
|
3.97 |
21
|
2.37 |
11
|
4.16 |
11
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4.08 |
10
|
4.3 |
17
|
1.28 |
10
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4.3 |
19
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3.14 |
10
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4.3 |
19
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2.67 |
6
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5.92 |
11
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4.16 |
6
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5.92 |
11
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4.08 |
6
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5.92 |
20
|
3.16 |
8
|
7.17 |
7
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7.11 |
5
|
7.27 |
7
|
7.11 |
9
|
8.1 |
5
|
7.27 |
|
Show spectrum in full size
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Type: H,C-HSQC 600.1300048828125
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|
Axis: 1 (H) |
Axis: 2 (C) |
Atom |
Shift |
Shift |
|
17
|
1.28 |
48.22 |
21
|
1.47 |
26.84 |
18
|
1.89 |
42.85 |
21
|
2.37 |
26.84 |
19
|
2.67 |
42.28 |
14
|
2.74 |
52.68 |
16
|
2.89 |
50.35 |
19
|
3.14 |
42.28 |
20
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3.16 |
31.6 |
16
|
3.22 |
50.35 |
14
|
3.73 |
52.68 |
13
|
3.87 |
60.1 |
12
|
3.97 |
60.28 |
11
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4.08 |
64.6 |
11
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4.16 |
64.6 |
10
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4.3 |
76.85 |
6
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5.92 |
127.34 |
7
|
7.11 |
124.66 |
8
|
7.17 |
122.26 |
5
|
7.27 |
128.56 |
9
|
8.1 |
116.23 |
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Show spectrum in full size
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Type: H,C-HMBC 600.1300048828125
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Axis: 1 (H) |
Axis: 2 (C) |
Atom |
Shift |
Atom |
Shift |
|
17
|
1.28 |
3
|
140.45 |
17
|
1.28 |
13
|
60.1 |
17
|
1.28 |
20
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31.6 |
21
|
1.47 |
3
|
140.45 |
21
|
1.47 |
17
|
48.22 |
21
|
1.47 |
20
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31.6 |
18
|
1.89 |
4
|
132.72 |
18
|
1.89 |
13
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60.1 |
18
|
1.89 |
12
|
60.28 |
18
|
1.89 |
16
|
50.35 |
18
|
1.89 |
15
|
51.96 |
21
|
2.37 |
12
|
60.28 |
21
|
2.37 |
17
|
48.22 |
21
|
2.37 |
15
|
51.96 |
21
|
2.37 |
20
|
31.6 |
19
|
2.67 |
1
|
169.28 |
19
|
2.67 |
10
|
76.85 |
14
|
2.74 |
3
|
140.45 |
14
|
2.74 |
12
|
60.28 |
14
|
2.74 |
16
|
50.35 |
14
|
2.74 |
6
|
127.34 |
14
|
2.74 |
20
|
31.6 |
16
|
2.89 |
14
|
52.68 |
16
|
2.89 |
18
|
42.85 |
19
|
3.14 |
1
|
169.28 |
19
|
3.14 |
2
|
142.23 |
19
|
3.14 |
10
|
76.85 |
19
|
3.14 |
17
|
48.22 |
20
|
3.16 |
17
|
48.22 |
20
|
3.16 |
3
|
140.45 |
16
|
3.22 |
12
|
60.28 |
14
|
3.73 |
3
|
140.45 |
14
|
3.73 |
12
|
60.28 |
14
|
3.73 |
16
|
50.35 |
14
|
3.73 |
6
|
127.34 |
13
|
3.87 |
2
|
142.23 |
13
|
3.87 |
4
|
132.72 |
13
|
3.87 |
10
|
76.85 |
13
|
3.87 |
17
|
48.22 |
13
|
3.87 |
15
|
51.96 |
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Axis: 1 (H) |
Axis: 2 (C) |
Atom |
Shift |
Atom |
Shift |
|
13
|
3.87 |
18
|
42.85 |
12
|
3.97 |
13
|
60.1 |
11
|
4.08 |
3
|
140.45 |
11
|
4.08 |
10
|
76.85 |
11
|
4.08 |
17
|
48.22 |
11
|
4.08 |
20
|
31.6 |
11
|
4.08 |
6
|
127.34 |
11
|
4.16 |
3
|
140.45 |
11
|
4.16 |
10
|
76.85 |
11
|
4.16 |
6
|
127.34 |
10
|
4.3 |
1
|
169.28 |
10
|
4.3 |
13
|
60.1 |
6
|
5.92 |
14
|
52.68 |
6
|
5.92 |
20
|
31.6 |
6
|
5.92 |
11
|
64.6 |
7
|
7.11 |
4
|
132.72 |
7
|
7.11 |
5
|
128.56 |
7
|
7.11 |
9
|
116.23 |
8
|
7.17 |
2
|
142.23 |
8
|
7.17 |
5
|
128.56 |
8
|
7.17 |
15
|
51.96 |
5
|
7.27 |
2
|
142.23 |
5
|
7.27 |
7
|
124.66 |
5
|
7.27 |
8
|
122.26 |
5
|
7.27 |
9
|
116.23 |
9
|
8.1 |
2
|
142.23 |
9
|
8.1 |
4
|
132.72 |
9
|
8.1 |
7
|
124.66 |
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Show spectrum in full size
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Type: H,H-NOESY 600.1300048828125
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Axis: 1 (H) |
Axis: 2 (H) |
Atom |
Shift |
Atom |
Shift |
|
21
|
1.47 |
17
|
1.28 |
21
|
2.37 |
21
|
1.47 |
20
|
3.16 |
19
|
2.67 |
20
|
3.16 |
17
|
1.28 |
20
|
3.16 |
21
|
1.47 |
16
|
3.22 |
16
|
2.89 |
16
|
3.22 |
18
|
1.89 |
14
|
3.73 |
14
|
2.74 |
14
|
3.73 |
21
|
2.37 |
13
|
3.87 |
16
|
2.89 |
13
|
3.87 |
19
|
2.67 |
13
|
3.87 |
18
|
1.89 |
12
|
3.97 |
21
|
2.37 |
12
|
3.97 |
21
|
1.47 |
12
|
3.97 |
18
|
1.89 |
11
|
4.08 |
20
|
3.16 |
11
|
4.16 |
11
|
4.08 |
10
|
4.3 |
20
|
3.16 |
10
|
4.3 |
19
|
3.14 |
10
|
4.3 |
17
|
1.28 |
10
|
4.3 |
11
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4.08 |
6
|
5.92 |
14
|
2.74 |
6
|
5.92 |
11
|
4.16 |
8
|
7.17 |
12
|
3.97 |
8
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7.17 |
18
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1.89 |
5
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7.27 |
7
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7.11 |
9
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8.1 |
5
|
7.27 |
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Show spectrum in full size
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