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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 103.2 103.2103.2
2 S 147.2 147.2146.5
3 S 153.8 153.8152.85
4 D 97.1 97.196.8
5 S 137.1 137.1137.1
6 S 121.5 121.5121.5
8 D 146.8 146.8146.8
9 S 107.6 107.6107.6
10 S 176.1 176.1176.1
12 S 166.4 166.4166.4
16 T 49.7 49.749.7
17 Q 14.4 14.414.35
20 T 102.0 102.0102.2





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 D 103.2 103.2103.2
2 S 147.2 147.2146.5
3 S 153.8 153.8152.85
4 D 97.1 97.196.8
5 S 137.1 137.1137.1
6 S 121.5 121.5121.5
8 D 146.8 146.8146.8
9 S 107.6 107.6107.6
10 S 176.1 176.1176.1
12 S 166.4 166.4166.4
16 T 49.7 49.749.7
17 Q 14.4 14.414.35
20 T 102.0 102.0102.2





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 D 103.20 103.2103.2
2 S 146.50 147.2147.2
3 S 152.85 153.8153.8
4 D 96.80 97.197.1
5 S 137.10 137.1137.1
6 S 121.50 121.5121.5
8 D 146.80 146.8146.8
9 S 107.60 107.6107.6
10 S 176.10 176.1176.1
12 S 166.40 166.4166.4
16 T 49.70 49.749.7
17 Q 14.35 14.414.4
20 T 102.20 102.0102.0






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