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Spectral Data   Additional Data   Download  
Type: 13C 100.6
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
1 S 97.4 89.5
2 S 97.4 89.5
3 D 128.8 128.3
4 D 127.6 128.4
5 D 128.0 129.0
6 D 127.6 128.4
7 D 128.8 128.3
8 S 141.2 139.3
9 D 130.2 128.3
10 D 127.9 128.4
11 D 128.4 129.0
12 D 127.9 128.4
13 D 130.2 128.3
14 S 141.5 139.3
15 D 130.2 128.3
16 D 127.9 128.4
17 D 128.4 129.0
18 D 127.9 128.4
19 D 130.2 128.3
20 S 141.5 139.3
21 D 128.8 128.3
22 D 127.6 128.4
23 D 128.0 129.0
24 D 127.6 128.4
25 D 128.0 128.3
26 S 141.2 139.3





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
1 S 89.5 97.4
2 S 89.5 97.4
3 D 128.3 128.8
4 D 128.4 127.6
5 D 129.0 128.0
6 D 128.4 127.6
7 D 128.3 128.8
8 S 139.3 141.2
9 D 128.3 130.2
10 D 128.4 127.9
11 D 129.0 128.4
12 D 128.4 127.9
13 D 128.3 130.2
14 S 139.3 141.5
15 D 128.3 130.2
16 D 128.4 127.9
17 D 129.0 128.4
18 D 128.4 127.9
19 D 128.3 130.2
20 S 139.3 141.5
21 D 128.3 128.8
22 D 128.4 127.6
23 D 129.0 128.0
24 D 128.4 127.6
25 D 128.3 128.0
26 S 139.3 141.2





Spectral Data   Additional Data   Download  
Type: 1H 400.13
Atom
Mult.(coupling const.)
Meas.
Shift
3-H 7.03
4-H 7.10
5-H 7.19
6-H 7.10
7-H 7.03
9-H 7.56
10-H 7.24
11-H 7.31
12-H 7.24
13-H 7.56
15-H 7.56
16-H 7.24
17-H 7.31
18-H 7.24
19-H 7.56
21-H 7.03
22-H 7.10
23-H 7.19
24-H 7.10
25-H 7.03





Spectral Data   Additional Data   Download  
31P Spectrum
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