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Spectral Data   Additional Data   Download  
Type: 13C 100.0 Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 T 31.8 34.3729.76
2 T 18.6 18.617.6
3 T 41.6 41.6530.03
4 S 33.3 33.330.27
5 D 46.3 46.3549.58
6 S 43.2 43.242.1
7 T 21.5 20.8342.24
8 T 31.2 31.2530.4
9 D 36.6 36.6540.99
10 S 76.8 78.1683.48
11 T 32.2 32.2538.34
12 T 22.2 22.2526.81
13 S 135.1 135.2134.7
14 S 174.5 174.5174.3
16 T 70.1 70.170.2
17 D 143.7 143.7143.9
20 Q 16.2 16.816.26
21 Q 16.3 16.0216.3
22 Q 22.0 31.5728.11
23 Q 33.7 27.9528.11

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Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 T 34.37 31.829.76
2 T 18.60 18.617.6
3 T 41.65 41.630.03
4 S 33.30 33.330.27
5 D 46.35 46.349.58
6 S 43.20 43.242.1
7 T 20.83 21.542.24
8 T 31.25 31.230.4
9 D 36.65 36.640.99
10 S 78.16 76.883.48
11 T 32.25 32.238.34
12 T 22.25 22.226.81
13 S 135.20 135.1134.7
14 S 174.50 174.5174.3
16 T 70.10 70.170.2
17 D 143.70 143.7143.9
20 Q 16.80 16.216.26
21 Q 16.02 16.316.3
22 Q 31.57 22.028.11
23 Q 27.95 33.728.11

Double click upper part to get resizeable window!



Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 T 29.76 31.834.37
2 T 17.60 18.618.6
3 T 30.03 41.641.65
4 S 30.27 33.333.3
5 D 49.58 46.346.35
6 S 42.10 43.243.2
7 T 42.24 21.520.83
8 T 30.40 31.231.25
9 D 40.99 36.636.65
10 S 83.48 76.878.16
11 T 38.34 32.232.25
12 T 26.81 22.222.25
13 S 134.70 135.1135.2
14 S 174.30 174.5174.5
16 T 70.20 70.170.1
17 D 143.90 143.7143.7
20 Q 16.26 16.216.8
21 Q 16.30 16.316.02
22 Q 28.11 22.031.57
23 Q 28.11 33.727.95

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