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Spectral Data   Additional Data   Download  
Type: 13C 125
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 T 35.1 35.135.03
2 S 216.8 216.8216.8
3 S 47.9 48.3847.9
4 T 38.5 36.7238.5
5 S 34.9 34.934.9
6 T 24.4 24.3324.4
7 D 118.2 118.2118.2
8 S 145.0 145.0145.0
9 T 33.2 33.233.2
10 T 18.2 19.8518.2
11 S 49.9 49.949.9
12 S 45.4 45.445.4
13 T 45.7 45.745.7
14 D 77.9 77.977.9
16 Q 21.6 26.923.02
17 Q 24.5 24.9223.02
18 Q 12.8 14.9312.73
19 Q 23.6 19.9323.6
20 Q 27.9 30.2727.9
22 Q 18.7 18.718.7
23 T 38.0 38.038.0
24 D 125.4 125.4125.4
25 D 139.7 139.7139.7
26 S 70.7 70.770.7
27 Q 29.9 29.9529.95
28 Q 30.0 29.9529.95
30 D 62.1 62.162.1
32 D 52.4 52.452.37
33 S 47.9 47.947.9
36 D 34.3 34.334.3





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
1 T 35.10 35.135.03
2 S 216.80 216.8216.8
3 S 48.38 47.947.9
4 T 36.72 38.538.5
5 S 34.90 34.934.9
6 T 24.33 24.424.4
7 D 118.20 118.2118.2
8 S 145.00 145.0145.0
9 T 33.20 33.233.2
10 T 19.85 18.218.2
11 S 49.90 49.949.9
12 S 45.40 45.445.4
13 T 45.70 45.745.7
14 D 77.90 77.977.9
16 Q 26.90 21.623.02
17 Q 24.92 24.523.02
18 Q 14.93 12.812.73
19 Q 19.93 23.623.6
20 Q 30.27 27.927.9
22 Q 18.70 18.718.7
23 T 38.00 38.038.0
24 D 125.40 125.4125.4
25 D 139.70 139.7139.7
26 S 70.70 70.770.7
27 Q 29.95 29.929.95
28 Q 29.95 30.029.95
30 D 62.10 62.162.1
32 D 52.40 52.452.37
33 D 47.90 47.947.9
36 D 34.30 34.334.3





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
1 T 35.03 35.135.1
2 S 216.80 216.8216.8
3 S 47.90 47.948.38
4 T 38.50 38.536.72
5 S 34.90 34.934.9
6 T 24.40 24.424.33
7 D 118.20 118.2118.2
8 S 145.00 145.0145.0
9 T 33.20 33.233.2
10 T 18.20 18.219.85
11 S 49.90 49.949.9
12 S 45.40 45.445.4
13 T 45.70 45.745.7
14 D 77.90 77.977.9
16 Q 23.02 21.626.9
17 Q 23.02 24.524.92
18 Q 12.73 12.814.93
19 Q 23.60 23.619.93
20 Q 27.90 27.930.27
22 Q 18.70 18.718.7
23 T 38.00 38.038.0
24 D 125.40 125.4125.4
25 D 139.70 139.7139.7
26 S 70.70 70.770.7
27 Q 29.95 29.929.95
28 Q 29.95 30.029.95
30 D 62.10 62.162.1
32 D 52.37 52.452.4
33 S 47.90 47.947.9
36 D 34.30 34.334.3






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