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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 129.9 130.99129.9
2 D 119.0 120.16119.07
3 D 135.5 137.0135.93
4 D 117.5 118.44117.53
5 S 161.7 162.63161.7
6 S 112.7 113.97112.7
7 T 61.4 61.6761.4
8 S 170.2 170.6170.2
9 Q 14.2 15.014.14





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 D 130.99 129.9129.9
2 D 120.16 119.0119.07
3 D 137.00 135.5135.93
4 D 118.44 117.5117.53
5 S 162.63 161.7161.7
6 S 113.97 112.7112.7
7 T 61.67 61.461.4
8 S 170.60 170.2170.2
9 Q 15.00 14.214.14





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 D 129.90 129.9130.99
2 D 119.07 119.0120.16
3 D 135.93 135.5137.0
4 D 117.53 117.5118.44
5 S 161.70 161.7162.63
6 S 112.70 112.7113.97
7 T 61.40 61.461.67
8 S 170.20 170.2170.6
9 Q 14.14 14.215.0






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