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This molecule without stereoconfiguration:

This molecule with other stereoconfigurations:


General   ChiuZ/Chloroform-D1 (CDCl3)  
Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ChiuZ
Prediction 1
acd_lotusv7
Prediction 2
hose_lotusv7
1 T 34.0 34.635.2134.63
2 T 24.9 23.524.323.54
3 D 75.0 73.074.173.1
4 S 47.5 46.447.3935.15
5 D 49.6 50.450.8550.44
6 T 20.7 18.719.8118.75
7 T 33.1 32.832.5432.84
8 S 43.2 45.143.2745.09
9 D 61.7 60.359.9960.34
10 S 38.3 37.438.2337.41
11 S 199.1 199.3202.06199.28
12 D 130.3 130.5131.01130.53
13 S 165.0 165.0165.5164.93
14 S 45.0 43.843.4643.8
15 T 26.7 27.229.827.23
16 T 27.3 27.527.427.16
17 S 34.1 34.034.333.4
18 D 59.1 59.059.258.12
19 D 39.2 39.3238.139.28
20 D 39.3 39.2739.439.3
21 T 31.1 30.931.031.51
22 T 42.3 40.938.0141.42
23 S 180.7 180.5179.0181.1
24 Q 21.8 23.824.423.84
25 Q 17.1 13.216.8413.23
26 Q 18.9 18.418.5218.41
27 Q 20.6 20.520.620.52
28 Q 28.9 28.929.5828.89
29 Q 17.5 17.417.617.07
30 Q 21.5 21.221.321.41
31 S 170.7 170.2170.4170.2
32 Q 21.3 21.421.221.4





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ChiuZ
Prediction 1
Prediction 2
hose_lotusv7
1 T 35.21 34.634.034.63
2 T 24.30 23.524.923.54
3 D 74.10 73.075.073.1
4 S 47.39 46.447.535.15
5 D 50.85 50.449.650.44
6 T 19.81 18.720.718.75
7 T 32.54 32.833.132.84
8 S 43.27 45.143.245.09
9 D 59.99 60.361.760.34
10 S 38.23 37.438.337.41
11 S 202.06 199.3199.1199.28
12 D 131.01 130.5130.3130.53
13 S 165.50 165.0165.0164.93
14 S 43.46 43.845.043.8
15 T 29.80 27.226.727.23
16 T 27.40 27.527.327.16
17 S 34.30 34.034.133.4
18 D 59.20 59.059.158.12
19 D 38.10 39.3239.239.28
20 D 39.40 39.2739.339.3
21 T 31.00 30.931.131.51
22 T 38.01 40.942.341.42
23 S 179.00 180.5180.7181.1
24 Q 24.40 23.821.823.84
25 Q 16.84 13.217.113.23
26 Q 18.52 18.418.918.41
27 Q 20.60 20.520.620.52
28 Q 29.58 28.928.928.89
29 Q 17.60 17.417.517.07
30 Q 21.30 21.221.521.41
31 S 170.40 170.2170.7170.2
32 Q 21.20 21.421.321.4





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ChiuZ
Prediction 1
Prediction 2
acd_lotusv7
1 T 34.63 34.634.035.21
2 T 23.54 23.524.924.3
3 D 73.10 73.075.074.1
4 S 35.15 46.447.547.39
5 D 50.44 50.449.650.85
6 T 18.75 18.720.719.81
7 T 32.84 32.833.132.54
8 S 45.09 45.143.243.27
9 D 60.34 60.361.759.99
10 S 37.41 37.438.338.23
11 S 199.28 199.3199.1202.06
12 D 130.53 130.5130.3131.01
13 S 164.93 165.0165.0165.5
14 S 43.80 43.845.043.46
15 T 27.23 27.226.729.8
16 T 27.16 27.527.327.4
17 S 33.40 34.034.134.3
18 D 58.12 59.059.159.2
19 D 39.28 39.3239.238.1
20 D 39.30 39.2739.339.4
21 T 31.51 30.931.131.0
22 T 41.42 40.942.338.01
23 S 181.10 180.5180.7179.0
24 Q 23.84 23.821.824.4
25 Q 13.23 13.217.116.84
26 Q 18.41 18.418.918.52
27 Q 20.52 20.520.620.6
28 Q 28.89 28.928.929.58
29 Q 17.07 17.417.517.6
30 Q 21.41 21.221.521.3
31 S 170.20 170.2170.7170.4
32 Q 21.40 21.421.321.2






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