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This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C 125.7
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 S 174.7 174.65174.7
2 D 36.4 36.7736.4
5 Q 15.8 15.7515.8
6 Q 13.1 13.0513.1
7 T 42.2 42.242.2
8 Q 19.7 19.719.7
9 D 36.4 36.436.4
10 D 133.8 133.8133.8
11 D 133.9 133.9133.9
12 D 63.5 63.563.5
14 D 79.8 79.879.8
16 D 37.1 37.137.1
17 D 131.2 131.2131.2
18 Q 17.5 17.517.5
19 D 133.9 133.9133.9
20 Q 23.3 23.323.3
21 D 76.0 75.8776.0
22 D 34.3 34.333.2
23 T 36.3 36.336.3
24 Q 15.5 14.915.5
26 D 38.5 38.0337.9
27 D 79.3 79.1879.1
28 Q 9.2 8.988.9
30 D 34.8 34.734.7
31 D 134.3 133.92133.4
32 Q 18.2 17.917.4
33 D 130.4 130.28129.8
34 D 133.3 132.84132.65
35 T 118.3 118.32118.05
36 S 158.4 157.9158.2
39 D 73.2 73.1573.2
41 D 44.1 44.0544.1
43 D 77.6 77.677.6





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
1 S 174.65 174.7174.7
2 D 36.77 36.436.4
5 Q 15.75 15.815.8
6 Q 13.05 13.113.1
7 T 42.20 42.242.2
8 Q 19.70 19.719.7
9 D 36.40 36.436.4
10 D 133.80 133.8133.8
11 S 133.90 133.9133.9
12 D 63.50 63.563.5
14 D 79.80 79.879.8
16 D 37.10 37.137.1
17 D 131.20 131.2131.2
18 Q 17.50 17.517.5
19 S 133.90 133.9133.9
20 Q 23.30 23.323.3
21 D 75.87 76.076.0
22 D 34.30 34.333.2
23 T 36.30 36.336.3
24 Q 14.90 15.515.5
26 D 38.03 38.537.9
27 D 79.18 79.379.1
28 Q 8.98 9.28.9
30 D 34.70 34.834.7
31 D 133.92 134.3133.4
32 Q 17.90 18.217.4
33 D 130.28 130.4129.8
34 D 132.84 133.3132.65
35 T 118.32 118.3118.05
36 S 157.90 158.4158.2
39 D 73.15 73.273.2
41 D 44.05 44.144.1
43 D 77.60 77.677.6





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
1 S 174.70 174.7174.65
2 D 36.40 36.436.77
5 Q 15.80 15.815.75
6 Q 13.10 13.113.05
7 T 42.20 42.242.2
8 Q 19.70 19.719.7
9 D 36.40 36.436.4
10 D 133.80 133.8133.8
11 S 133.90 133.9133.9
12 D 63.50 63.563.5
14 D 79.80 79.879.8
16 D 37.10 37.137.1
17 D 131.20 131.2131.2
18 Q 17.50 17.517.5
19 S 133.90 133.9133.9
20 Q 23.30 23.323.3
21 D 76.00 76.075.87
22 D 33.20 34.334.3
23 T 36.30 36.336.3
24 Q 15.50 15.514.9
26 D 37.90 38.538.03
27 D 79.10 79.379.18
28 Q 8.90 9.28.98
30 D 34.70 34.834.7
31 D 133.40 134.3133.92
32 Q 17.40 18.217.9
33 D 129.80 130.4130.28
34 D 132.65 133.3132.84
35 T 118.05 118.3118.32
36 S 158.20 158.4157.9
39 D 73.20 73.273.15
41 D 44.10 44.144.05
43 D 77.60 77.677.6






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