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This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C 23
Atom
Mult.(coupling const.)
Meas.
Shift
Intensity
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 S 180.5 0.124 180.18174.7
2 T 34.2 0.283 34.2533.8
3 T 24.8 0.283 24.7625.63
4 T 29.8 1.0 29.1529.35
5 T 29.8 1.0 29.228.8
6 T 29.8 1.0 29.1528.8
7 T 29.8 1.0 29.7629.25
8 T 27.4 0.37 27.2827.81
9 D 130.0 0.271 129.71130.07
10 D 129.8 0.133 130.01130.07
11 T 27.4 0.37 27.327.81
12 T 29.5 0.56 29.8129.25
13 T 29.5 0.56 29.4229.5
14 T 29.2 0.72 29.6529.2
15 T 29.2 0.72 29.4329.25
16 T 32.1 0.272 31.9632.04
17 T 22.8 0.146 22.7822.15
18 Q 14.1 0.146 14.2213.97





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
dkfz spektren database
Prediction 1
hose_lotusv7
1 S 180.18 180.5174.7
2 T 34.25 34.233.8
3 T 24.76 24.825.63
4 T 29.15 29.829.35
5 T 29.20 29.828.8
6 T 29.15 29.828.8
7 T 29.76 29.829.25
8 T 27.28 27.427.81
9 D 129.71 130.0130.07
10 D 130.01 129.8130.07
11 T 27.30 27.427.81
12 T 29.81 29.529.25
13 T 29.42 29.529.5
14 T 29.65 29.229.2
15 T 29.43 29.229.25
16 T 31.96 32.132.04
17 T 22.78 22.822.15
18 Q 14.22 14.113.97





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
dkfz spektren database
Prediction 1
acd_lotusv7
1 S 174.70 180.5180.18
2 T 33.80 34.234.25
3 T 25.63 24.824.76
4 T 29.35 29.829.15
5 T 28.80 29.829.2
6 T 28.80 29.829.15
7 T 29.25 29.829.76
8 T 27.81 27.427.28
9 D 130.07 130.0129.71
10 D 130.07 129.8130.01
11 T 27.81 27.427.3
12 T 29.25 29.529.81
13 T 29.50 29.529.42
14 T 29.20 29.229.65
15 T 29.25 29.229.43
16 T 32.04 32.131.96
17 T 22.15 22.822.78
18 Q 13.97 14.114.22





Spectral Data   Additional Data   Download  
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
2-H 2.344
3-H 1.631
4-H 1.350
5-H 1.310
6-H 1.310
7-H 1.310
8-H 2.011
9-H 5.340
10-H 5.340
11-H 2.011
12-H 1.310
13-H 1.270
14-H 1.270
15-H 1.270
16-H 1.270
17-H 1.270
18-H 0.879
19-H






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