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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 S 164.2 163.5164.2
2 D 106.1 106.1106.1
3 S 166.5 165.29166.5
4 D 107.6 107.6107.6
5 S 143.2 133.2143.2
6 S 109.5 109.5109.5
7 S 183.0 182.51183.0
8 S 133.2 143.2133.2
9 S 146.7 146.7146.7
10 S 187.4 187.9187.4
11 T 30.6 30.630.6
12 D 68.6 68.668.6
13 D 69.8 69.869.8
14 Q 21.2 21.221.2
15 Q 21.2 21.221.2
16 Q 56.0 56.056.2





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 S 163.50 164.2164.2
2 D 106.10 106.1106.1
3 S 165.29 166.5166.5
4 D 107.60 107.6107.6
5 S 133.20 143.2143.2
6 S 109.50 109.5109.5
7 S 182.51 183.0183.0
8 S 143.20 133.2133.2
9 S 146.70 146.7146.7
10 S 187.90 187.4187.4
11 T 30.60 30.630.6
12 D 68.60 68.668.6
13 D 69.80 69.869.8
14 Q 21.20 21.221.2
15 Q 21.20 21.221.2
16 Q 56.00 56.056.2





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 S 164.2 164.2163.5
2 D 106.1 106.1106.1
3 S 166.5 166.5165.29
4 D 107.6 107.6107.6
5 S 143.2 143.2133.2
6 S 109.5 109.5109.5
7 S 183.0 183.0182.51
8 S 133.2 133.2143.2
9 S 146.7 146.7146.7
10 S 187.4 187.4187.9
11 T 30.6 30.630.6
12 D 68.6 68.668.6
13 D 69.8 69.869.8
14 Q 21.2 21.221.2
15 Q 21.2 21.221.2
16 Q 56.2 56.056.0






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