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Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 D 102.3 102.3102.3
2 S 168.1 168.1168.1
3 D 111.6 111.6111.6
4 D 129.3 129.3129.3
5 S 113.8 113.8113.8
6 S 164.6 164.6164.6
7 S 194.5 194.5194.5
8 D 74.7 74.774.7
9 D 85.5 85.585.5
10 S 129.1 129.1129.1
11 D 130.3 130.3130.3
12 D 114.8 114.8114.8
13 S 161.5 161.5160.85
14 D 114.8 114.8114.8
15 D 130.3 130.3130.3
16 Q 56.0 56.055.54
17 Q 56.1 56.156.57





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 D 102.3 102.3102.3
2 S 168.1 168.1168.1
3 D 111.6 111.6111.6
4 D 129.3 129.3129.3
5 S 113.8 113.8113.8
6 S 164.6 164.6164.6
7 S 194.5 194.5194.5
8 D 74.7 74.774.7
9 D 85.5 85.585.5
10 S 129.1 129.1129.1
11 D 130.3 130.3130.3
12 D 114.8 114.8114.8
13 S 161.5 161.5160.85
14 D 114.8 114.8114.8
15 D 130.3 130.3130.3
16 Q 56.0 56.055.54
17 Q 56.1 56.156.57





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 D 102.30 102.3102.3
2 S 168.10 168.1168.1
3 D 111.60 111.6111.6
4 D 129.30 129.3129.3
5 S 113.80 113.8113.8
6 S 164.60 164.6164.6
7 S 194.50 194.5194.5
8 D 74.70 74.774.7
9 D 85.50 85.585.5
10 S 129.10 129.1129.1
11 D 130.30 130.3130.3
12 D 114.80 114.8114.8
13 S 160.85 161.5161.5
14 D 114.80 114.8114.8
15 D 130.30 130.3130.3
16 Q 55.54 56.056.0
17 Q 56.57 56.156.1






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