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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 127.74 126.65127.74
2 D 122.74 115.27122.74
3 S 143.43 142.98143.43
4 S 139.16 140.06139.16
5 S 143.43 142.98143.43
6 D 122.74 115.27122.74
7 S 169.54 166.81169.54
8 S 167.58 167.82167.58
9 Q 20.51 20.2220.51
10 S 166.39 167.39166.39
11 Q 20.11 20.1320.25
12 S 167.58 167.82167.58
13 Q 20.51 20.2220.51





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse database
Prediction 1
hose_lotusv7
1 S 126.65 127.74127.74
2 D 115.27 122.74122.74
3 S 142.98 143.43143.43
4 S 140.06 139.16139.16
5 S 142.98 143.43143.43
6 D 115.27 122.74122.74
7 S 166.81 169.54169.54
8 S 167.82 167.58167.58
9 Q 20.22 20.5120.51
10 S 167.39 166.39166.39
11 Q 20.13 20.1120.25
12 S 167.82 167.58167.58
13 Q 20.22 20.5120.51





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse database
Prediction 1
acd_lotusv7
1 S 127.74 127.74126.65
2 D 122.74 122.74115.27
3 S 143.43 143.43142.98
4 S 139.16 139.16140.06
5 S 143.43 143.43142.98
6 D 122.74 122.74115.27
7 S 169.54 169.54166.81
8 S 167.58 167.58167.82
9 Q 20.51 20.5120.22
10 S 166.39 166.39167.39
11 Q 20.25 20.1120.13
12 S 167.58 167.58167.82
13 Q 20.51 20.5120.22





Spectral Data   Additional Data   Download  
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
2-H 7.84
6-H 7.84
9-H 2.27
11-H 2.28
13-H 2.27
15-H 11.0 (H 22)






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