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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 122.5 122.5122.5
2 D 109.0 109.0109.0
3 S 160.1 159.34160.1
4 D 94.5 94.594.5
5 S 134.5 141.35134.5
6 S 114.8 114.72114.8
8 S 131.2 135.18133.2
9 S 127.1 128.03127.5
10 S 142.0 141.4143.0
12 D 137.5 137.5137.22
13 D 112.0 112.0112.47
15 Q 55.0 55.055.34
16 Q 20.0 20.019.22





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 D 122.50 122.5122.5
2 D 109.00 109.0109.0
3 S 159.34 160.1160.1
4 D 94.50 94.594.5
5 S 141.35 134.5134.5
6 S 114.72 114.8114.8
8 S 135.18 131.2133.2
9 S 128.03 127.1127.5
10 S 141.40 142.0143.0
12 D 137.50 137.5137.22
13 D 112.00 112.0112.47
15 Q 55.00 55.055.34
16 Q 20.00 20.019.22





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 D 122.50 122.5122.5
2 D 109.00 109.0109.0
3 S 160.10 160.1159.34
4 D 94.50 94.594.5
5 S 134.50 134.5141.35
6 S 114.80 114.8114.72
8 S 133.20 131.2135.18
9 S 127.50 127.1128.03
10 S 143.00 142.0141.4
12 D 137.22 137.5137.5
13 D 112.47 112.0112.0
15 Q 55.34 55.055.0
16 Q 19.22 20.020.0






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