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This molecule with some stereoconfiguration:


Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
hose_lotusv7
1 D 116.4 116.4
2 S 138.5 138.5
3 S 146.3 146.3
4 S 131.0 131.0
5 S 125.5 125.5
6 D 118.6 118.6
7 S 43.0 43.0
8 D 91.5 91.5
9 D 66.4 66.4
10 D 133.4 133.3
11 D 128.5 128.3
12 D 40.6 40.6
14 D 58.1 58.4
15 T 20.2 20.2
16 T 35.6 35.6
17 T 46.1 46.25
19 Q 42.8 42.85





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
1 D 116.40 116.4
2 S 138.50 138.5
3 S 146.30 146.3
4 S 131.00 131.0
5 S 125.50 125.5
6 D 118.60 118.6
7 S 43.00 43.0
8 D 91.50 91.5
9 D 66.40 66.4
10 D 133.30 133.4
11 D 128.30 128.5
12 D 40.60 40.6
14 D 58.40 58.1
15 T 20.20 20.2
16 T 35.60 35.6
17 T 46.25 46.1
19 Q 42.85 42.8






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