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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 187.6 187.6187.6
2 D 133.9 133.9133.9
3 S 146.7 146.7146.7
4 S 182.0 182.0182.0
5 S 158.9 158.9158.9
6 D 107.3 107.3107.3
7 T 35.0 35.035.0
8 S 136.0 136.4136.0
9 D 129.5 129.5129.5
10 D 128.9 128.9128.9
11 D 127.1 127.1126.96
12 D 128.9 128.9128.9
13 D 129.5 129.5129.5
14 Q 56.5 56.556.27





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 S 187.6 187.6187.6
2 D 133.9 133.9133.9
3 S 146.7 146.7146.7
4 S 182.0 182.0182.0
5 S 158.9 158.9158.9
6 D 107.3 107.3107.3
7 T 35.0 35.035.0
8 S 136.4 136.0136.0
9 D 129.5 129.5129.5
10 D 128.9 128.9128.9
11 D 127.1 127.1126.96
12 D 128.9 128.9128.9
13 D 129.5 129.5129.5
14 Q 56.5 56.556.27





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 S 187.60 187.6187.6
2 D 133.90 133.9133.9
3 S 146.70 146.7146.7
4 S 182.00 182.0182.0
5 S 158.90 158.9158.9
6 D 107.30 107.3107.3
7 T 35.00 35.035.0
8 S 136.00 136.0136.4
9 D 129.50 129.5129.5
10 D 128.90 128.9128.9
11 D 126.96 127.1127.1
12 D 128.90 128.9128.9
13 D 129.50 129.5129.5
14 Q 56.27 56.556.5






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