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This molecule with some stereoconfiguration:


Spectral Data   Additional Data   Download  
Type: 13C 125
Atom
Mult.(coupling const.)
Meas.
Shift
Intensity
Prediction 0
hose_lotusv7
1 D 48.20 0.89 48.2
2 D 60.29 0.88 60.29
3 D 31.50 0.84 31.51
4 D 77.77 0.87 77.58
5 S 51.97 0.5 51.97
6 T 26.68 0.84 26.68
7 S 139.80 0.45 140.68
8 T 42.35 0.92 42.35
9 T 64.55 0.85 64.53
10 D 60.03 0.87 60.03
11 T 42.29 0.88 42.29
12 S 123.01 0.44 123.01
13 S 135.99 0.34 135.99
14 S 168.89 0.42 168.89
15 D 128.07 0.8 127.47
16 T 52.66 0.9 52.02
17 T 50.18 0.88 50.18
18 D 105.56 0.95 105.56
19 D 101.07 1.0 101.07
20 S 146.32 0.32 146.32
21 S 149.38 0.35 149.38
22 Q 56.50 0.86 56.5
23 Q 56.21 0.82 56.3





Spectral Data   Additional Data   Download  
Type: 1H 500
Atom
Mult.(coupling const.)
Meas.
Shift
Intensity
1-H 1.30 0.07
2-H 3.84 0.1
3-H 3.17 0.3
4-H 4.30 0.03
6-H 2.39, 1.52 0.06;0.14
8-H 3.11, 2.65 0.06;0.05
9-H 4.16, 4.08 0.08;0.08
10-H 3.93 0.29
11-H 1.90 0.16
15-H 5.94 0.17
16-H 3.76, 2.79 0.12;0.13
17-H 3.26, 2.89 0.06;0.03
18-H 6.69 0.25
19-H 7.82 0.21
22-H 3.87 0.83
23-H 3.91 0.74





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
1 D 48.20 48.2
2 D 60.29 60.29
3 D 31.51 31.5
4 D 77.58 77.77
5 S 51.97 51.97
6 T 26.68 26.68
7 S 140.68 139.8
8 T 42.35 42.35
9 T 64.53 64.55
10 D 60.03 60.03
11 T 42.29 42.29
12 S 123.01 123.01
13 S 135.99 135.99
14 S 168.89 168.89
15 D 127.47 128.07
16 T 52.02 52.66
17 T 50.18 50.18
18 D 105.56 105.56
19 D 101.07 101.07
20 S 146.32 146.32
21 S 149.38 149.38
22 Q 56.50 56.5
23 Q 56.30 56.21






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