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This molecule without stereoconfiguration:

This molecule with other stereoconfigurations:


General   ocmainz inhouse-2  
Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
expt-1
ocmainz inhouse-2
Prediction 2
hose_lotusv7
1 D 102.19 106.5106.5
2 D 73.28 75.975.0
3 D 75.81 78.978.14
4 D 69.40 71.469.69
5 D 75.60 78.279.0
6 S 131.60 131.6133.6132.6
7 S 143.70 143.7146.1144.9
8 S 145.40 145.4147.9146.65
9 D 104.50 105.1106.6105.85
10 S 110.20 110.2112.7111.45
11 D 144.70 144.7146.9145.8
12 D 112.20 112.2113.5112.9
13 S 160.20 160.2163.9162.05
14 S 142.70 142.7144.7143.7
15 T 60.40 62.761.08
16 Q 56.10 56.157.456.33





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
expt-1
ocmainz inhouse-2
Prediction 2
acd_lotusv7
1 D 106.50 106.5102.19
2 D 75.00 75.973.28
3 D 78.14 78.975.81
4 D 69.69 71.469.4
5 D 79.00 78.275.6
6 S 132.60 131.6133.6131.6
7 S 144.90 143.7146.1143.7
8 S 146.65 145.4147.9145.4
9 D 105.85 105.1106.6104.5
10 S 111.45 110.2112.7110.2
11 D 145.80 144.7146.9144.7
12 D 112.90 112.2113.5112.2
13 S 162.05 160.2163.9160.2
14 S 143.70 142.7144.7142.7
15 T 61.08 62.760.4
16 Q 56.33 56.157.456.1






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