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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 93.7 93.893.7
2 S 158.1 158.58158.1
3 S 113.1 113.09113.1
4 S 149.2 149.87149.2
5 S 107.0 106.79107.0
6 S 152.5 152.99152.5
7 D 144.6 145.19144.6
8 D 104.9 105.4104.9
9 D 139.0 139.38139.0
10 D 112.4 112.73112.4
11 S 160.5 160.83161.75
12 Q 60.0 60.4760.0





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 D 93.80 93.793.7
2 S 158.58 158.1158.1
3 S 113.09 113.1113.1
4 S 149.87 149.2149.2
5 S 106.79 107.0107.0
6 S 152.99 152.5152.5
7 D 145.19 144.6144.6
8 D 105.40 104.9104.9
9 D 139.38 139.0139.0
10 D 112.73 112.4112.4
11 S 160.83 160.5161.75
12 Q 60.47 60.060.0





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 D 93.70 93.793.8
2 S 158.10 158.1158.58
3 S 113.10 113.1113.09
4 S 149.20 149.2149.87
5 S 107.00 107.0106.79
6 S 152.50 152.5152.99
7 D 144.60 144.6145.19
8 D 104.90 104.9105.4
9 D 139.00 139.0139.38
10 D 112.40 112.4112.73
11 S 161.75 160.5160.83
12 Q 60.00 60.060.47






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