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Spectral Data   Additional Data   Download  
Type: 13C 125
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 D 126.5 126.5126.5
2 D 120.6 120.6120.6
3 S 145.0 145.0145.0
4 S 147.1 147.1147.1
5 S 136.6 136.6136.6
6 S 119.4 119.4119.4
7 S 183.7 183.7183.7
8 S 155.6 155.6155.6
9 S 104.0 104.0104.0
10 D 93.5 93.593.5
11 S 163.8 163.8163.8
12 S 111.1 111.1111.1
13 S 161.5 161.5161.5
14 T 30.7 30.730.7
15 T 46.9 46.946.9
16 S 70.4 70.470.4
17 Q 29.5 29.529.5
18 Q 29.5 29.529.5
19 T 21.9 21.921.9
20 D 123.3 123.3123.01
21 S 131.4 130.54132.34
22 Q 17.8 17.817.8
23 Q 25.8 25.825.6





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
1 D 126.50 126.5126.5
2 D 120.60 120.6120.6
3 S 145.00 145.0145.0
4 S 147.10 147.1147.1
5 S 136.60 136.6136.6
6 S 119.40 119.4119.4
7 S 183.70 183.7183.7
8 S 155.60 155.6155.6
9 S 104.00 104.0104.0
10 D 93.50 93.593.5
11 S 163.80 163.8163.8
12 S 111.10 111.1111.1
13 S 161.50 161.5161.5
14 T 30.70 30.730.7
15 T 46.90 46.946.9
16 S 70.40 70.470.4
17 Q 29.50 29.529.5
18 Q 29.50 29.529.5
19 T 21.90 21.921.9
20 D 123.30 123.3123.01
21 S 130.54 131.4132.34
22 Q 17.80 17.817.8
23 Q 25.80 25.825.6





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
1 D 126.50 126.5126.5
2 D 120.60 120.6120.6
3 S 145.00 145.0145.0
4 S 147.10 147.1147.1
5 S 136.60 136.6136.6
6 S 119.40 119.4119.4
7 S 183.70 183.7183.7
8 S 155.60 155.6155.6
9 S 104.00 104.0104.0
10 D 93.50 93.593.5
11 S 163.80 163.8163.8
12 S 111.10 111.1111.1
13 S 161.50 161.5161.5
14 T 30.70 30.730.7
15 T 46.90 46.946.9
16 S 70.40 70.470.4
17 Q 29.50 29.529.5
18 Q 29.50 29.529.5
19 T 21.90 21.921.9
20 D 123.01 123.3123.3
21 S 132.34 131.4130.54
22 Q 17.80 17.817.8
23 Q 25.60 25.825.8






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