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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 118.3 118.37118.43
2 D 118.6 118.53119.22
3 D 121.6 121.33120.24
4 D 111.0 110.95111.2
5 S 136.1 136.0136.12
6 S 127.1 127.1127.1
8 D 121.4 121.27121.4
9 S 113.3 113.4113.3
10 T 23.4 23.6523.4
11 T 60.1 60.260.1
14 Q 45.1 45.145.17
15 Q 45.1 45.145.17





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 D 118.37 118.3118.43
2 D 118.53 118.6119.22
3 D 121.33 121.6120.24
4 D 110.95 111.0111.2
5 S 136.00 136.1136.12
6 S 127.10 127.1127.1
8 D 121.27 121.4121.4
9 S 113.40 113.3113.3
10 T 23.65 23.423.4
11 T 60.20 60.160.1
14 Q 45.10 45.145.17
15 Q 45.10 45.145.17





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 D 118.43 118.3118.37
2 D 119.22 118.6118.53
3 D 120.24 121.6121.33
4 D 111.20 111.0110.95
5 S 136.12 136.1136.0
6 S 127.10 127.1127.1
8 D 121.40 121.4121.27
9 S 113.30 113.3113.4
10 T 23.40 23.423.65
11 T 60.10 60.160.2
14 Q 45.17 45.145.1
15 Q 45.17 45.145.1






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