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Spectral Data   Additional Data   Download  
Type: 13C 100
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 D 120.1 120.1119.85
2 D 120.2 120.2120.0
3 D 124.9 124.9124.6
4 D 112.2 112.2112.0
5 S 139.1 139.1138.7
6 S 125.4 125.4125.35
7 S 117.1 117.1117.1
8 S 126.8 126.8126.8
9 T 18.9 18.918.9
10 S 143.3 143.3143.3
11 T 40.1 40.140.1
12 D 93.5 93.593.5
13 S 149.0 149.0149.0
14 S 103.1 103.1103.1
15 S 158.4 158.4158.4
16 S 115.1 115.1115.1
17 D 149.2 149.2149.2
18 S 156.8 156.8156.8
19 D 127.6 127.6127.6
20 T 117.9 117.9117.9





Spectral Data   Additional Data   Download  
Type: 1H 400
Atom
Mult.(coupling const.)
Meas.
Shift
1-H d 7.66
2-H t 7.11
3-H t 7.30
4-H d 7.48
9-H t;t 3.11
11-H t;t 4.31
12-H s 6.92
17-H s 7.94
19-H dd 6.70
20-H dd;dd 5.43, 5.69
21-H s 11.98





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
1 D 120.1 120.1119.85
2 D 120.2 120.2120.0
3 D 124.9 124.9124.6
4 D 112.2 112.2112.0
5 S 139.1 139.1138.7
6 S 125.4 125.4125.35
7 S 117.1 117.1117.1
8 S 126.8 126.8126.8
9 T 18.9 18.918.9
10 S 143.3 143.3143.3
11 T 40.1 40.140.1
12 D 93.5 93.593.5
13 S 149.0 149.0149.0
14 S 103.1 103.1103.1
15 S 158.4 158.4158.4
16 S 115.1 115.1115.1
17 D 149.2 149.2149.2
18 S 156.8 156.8156.8
19 D 127.6 127.6127.6
20 T 117.9 117.9117.9





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
1 D 119.85 120.1120.1
2 D 120.00 120.2120.2
3 D 124.60 124.9124.9
4 D 112.00 112.2112.2
5 S 138.70 139.1139.1
6 S 125.35 125.4125.4
7 S 117.10 117.1117.1
8 S 126.80 126.8126.8
9 T 18.90 18.918.9
10 S 143.30 143.3143.3
11 T 40.10 40.140.1
12 D 93.50 93.593.5
13 S 149.00 149.0149.0
14 S 103.10 103.1103.1
15 S 158.40 158.4158.4
16 S 115.10 115.1115.1
17 D 149.20 149.2149.2
18 S 156.80 156.8156.8
19 D 127.60 127.6127.6
20 T 117.90 117.9117.9






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