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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 95.2 94.9595.5
2 S 164.0 163.7164.25
3 D 100.0 99.8100.4
4 S 162.5 162.25163.2
5 S 103.0 102.85103.75
6 S 155.2 154.85155.75
7 S 178.5 178.2178.5
8 S 97.6 97.397.6
9 S 164.8 164.8164.8
11 S 113.9 113.5113.9
12 S 150.5 150.15150.5
14 D 121.5 121.2121.5
15 D 114.0 113.8114.0
16 S 156.7 156.45156.7
17 D 99.0 98.899.0





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 D 94.95 95.295.5
2 S 163.70 164.0164.25
3 D 99.80 100.0100.4
4 S 162.25 162.5163.2
5 S 102.85 103.0103.75
6 S 154.85 155.2155.75
7 S 178.20 178.5178.5
8 S 97.30 97.697.6
9 S 164.80 164.8164.8
11 S 113.50 113.9113.9
12 S 150.15 150.5150.5
14 D 121.20 121.5121.5
15 D 113.80 114.0114.0
16 S 156.45 156.7156.7
17 D 98.80 99.099.0





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 D 95.50 95.294.95
2 S 164.25 164.0163.7
3 D 100.40 100.099.8
4 S 163.20 162.5162.25
5 S 103.75 103.0102.85
6 S 155.75 155.2154.85
7 S 178.50 178.5178.2
8 S 97.60 97.697.3
9 S 164.80 164.8164.8
11 S 113.90 113.9113.5
12 S 150.50 150.5150.15
14 D 121.50 121.5121.2
15 D 114.00 114.0113.8
16 S 156.70 156.7156.45
17 D 99.00 99.098.8






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