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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 S 158.3 158.3158.3
2 D 104.7 104.7104.7
3 D 128.6 128.6128.6
4 S 114.0 114.0114.0
5 S 113.6 113.6113.6
6 S 154.4 158.2154.4
7 T 34.9 34.934.9
8 D 67.6 67.667.6
9 D 80.1 80.180.1
10 S 132.1 132.1132.1
11 D 129.5 129.5129.5
12 D 116.2 116.2116.2
13 S 158.2 154.4158.7
14 D 116.2 116.2116.2
15 D 129.5 129.5129.5
16 Q 9.2 9.29.2
17 Q 56.6 56.655.83





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
1 S 158.3 158.3158.3
2 D 104.7 104.7104.7
3 D 128.6 128.6128.6
4 S 114.0 114.0114.0
5 S 113.6 113.6113.6
6 S 158.2 154.4154.4
7 T 34.9 34.934.9
8 D 67.6 67.667.6
9 D 80.1 80.180.1
10 S 132.1 132.1132.1
11 D 129.5 129.5129.5
12 D 116.2 116.2116.2
13 S 154.4 158.2158.7
14 D 116.2 116.2116.2
15 D 129.5 129.5129.5
16 Q 9.2 9.29.2
17 Q 56.6 56.655.83





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
1 S 158.30 158.3158.3
2 D 104.70 104.7104.7
3 D 128.60 128.6128.6
4 S 114.00 114.0114.0
5 S 113.60 113.6113.6
6 S 154.40 154.4158.2
7 T 34.90 34.934.9
8 D 67.60 67.667.6
9 D 80.10 80.180.1
10 S 132.10 132.1132.1
11 D 129.50 129.5129.5
12 D 116.20 116.2116.2
13 S 158.70 158.2154.4
14 D 116.20 116.2116.2
15 D 129.50 129.5129.5
16 Q 9.20 9.29.2
17 Q 55.83 56.656.6






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