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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 113.7 113.7113.64
2 D 121.4 121.4121.4
3 D 124.9 124.9124.9
4 S 149.0 149.0149.0
5 S 145.8 145.8145.8
6 Q 61.3 61.361.24
7 S 134.9 134.9134.9
8 T 30.8 30.830.8
9 T 35.0 35.035.0
10 S 142.5 142.5142.5
11 D 107.3 107.3107.3
12 D 99.3 99.399.3
13 S 154.6 154.6154.6
14 S 114.0 114.0114.0
15 Q 10.4 10.410.4
16 S 158.2 158.2158.2
17 Q 55.3 55.355.59





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
1 D 113.7 113.7113.64
2 D 121.4 121.4121.4
3 D 124.9 124.9124.9
4 S 149.0 149.0149.0
5 S 145.8 145.8145.8
6 Q 61.3 61.361.24
7 S 134.9 134.9134.9
8 T 30.8 30.830.8
9 T 35.0 35.035.0
10 S 142.5 142.5142.5
11 D 107.3 107.3107.3
12 D 99.3 99.399.3
13 S 154.6 154.6154.6
14 S 114.0 114.0114.0
15 Q 10.4 10.410.4
16 S 158.2 158.2158.2
17 Q 55.3 55.355.59





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
1 D 113.64 113.7113.7
2 D 121.40 121.4121.4
3 D 124.90 124.9124.9
4 S 149.00 149.0149.0
5 S 145.80 145.8145.8
6 Q 61.24 61.361.3
7 S 134.90 134.9134.9
8 T 30.80 30.830.8
9 T 35.00 35.035.0
10 S 142.50 142.5142.5
11 D 107.30 107.3107.3
12 D 99.30 99.399.3
13 S 154.60 154.6154.6
14 S 114.00 114.0114.0
15 Q 10.40 10.410.4
16 S 158.20 158.2158.2
17 Q 55.59 55.355.3






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