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This molecule with other stereoconfigurations:


General   acd_lotusv7/   hose_lotusv7/  
Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
ocmainz inhouse database
Prediction 1
acd_lotusv7
Prediction 2
acd_lotusv7
Prediction 3
hose_lotusv7
Prediction 4
hose_lotusv7
1 D 127.8 127.74127.67127.67128.45128.45
2 D 128.9 128.81128.77128.77128.68128.68
3 D 126.8 126.7126.63126.63126.58126.58
4 S 137.6 137.55137.43137.43137.53137.53
5 D 126.8 126.7126.63126.63126.58126.58
6 D 128.9 128.81128.77128.77128.68128.68
7 D 129.0 128.91128.85128.85128.96128.96
8 D 129.0 128.91128.85128.85128.96128.96
9 S 137.6 137.55137.43137.43137.53137.53
10 D 126.8 126.7126.63126.63126.58126.58
11 D 128.9 128.81128.77128.77128.68128.68
12 D 127.8 127.74127.67127.67128.45128.45
13 D 128.9 128.81128.77128.77128.68128.68
14 D 126.8 126.7126.63126.63126.58126.58





Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
Prediction 1
acd_lotusv7
Prediction 2
acd_lotusv7
Prediction 3
hose_lotusv7
Prediction 4
hose_lotusv7
1 D 127.74 127.8127.67127.67128.45128.45
2 D 128.81 128.9128.77128.77128.68128.68
3 D 126.70 126.8126.63126.63126.58126.58
4 S 137.55 137.6137.43137.43137.53137.53
5 D 126.70 126.8126.63126.63126.58126.58
6 D 128.81 128.9128.77128.77128.68128.68
7 D 128.91 129.0128.85128.85128.96128.96
8 D 128.91 129.0128.85128.85128.96128.96
9 S 137.55 137.6137.43137.43137.53137.53
10 D 126.70 126.8126.63126.63126.58126.58
11 D 128.81 128.9128.77128.77128.68128.68
12 D 127.74 127.8127.67127.67128.45128.45
13 D 128.81 128.9128.77128.77128.68128.68
14 D 126.70 126.8126.63126.63126.58126.58





Spectral Data   Additional Data   Download  
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
1-H 7.18
2-H 7.28
3-H 7.43
5-H 7.43
6-H 7.28
7-H 7.08
8-H 7.08
10-H 7.43
11-H 7.28
12-H 7.18
13-H 7.28
14-H 7.43

Unassigned shifts in this spectrum:
H 1
Intensity
7.38 0.0
7.63 0.0





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