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This molecule with some stereoconfiguration:


Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 S 127.1 127.39127.1
2 D 111.0 111.0111.5
3 D 122.2 122.1122.37
4 D 110.2 110.26109.87
5 S 133.8 133.7133.87
6 S 125.9 125.7126.1
8 D 119.4 119.58118.67
9 S 108.8 108.9109.93
10 S 136.0 134.28136.0
11 D 62.4 62.062.4
12 T 26.6 28.0127.0
13 D 118.3 118.61118.3
14 D 42.5 42.0242.5
15 T 55.1 53.655.1
17 Q 43.4 43.443.4
18 S 174.3 172.21174.3
23 S 85.9 85.985.9
24 S 165.8 165.8165.8
26 S 102.8 102.8102.8
28 Q 23.8 23.6323.8
30 D 56.1 56.156.1
31 S 164.2 164.2164.2
33 D 63.9 63.963.9
34 T 25.9 25.925.9
35 T 21.7 21.721.7
36 T 45.8 45.845.8
37 T 38.7 38.738.7
38 S 138.7 138.7138.7
39 D 129.9 129.9129.9
40 D 127.7 127.82128.55
41 D 127.4 126.62126.7
42 D 127.7 127.82128.55
43 D 129.9 129.9129.9





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 S 127.39 127.1127.1
2 D 111.00 111.0111.5
3 D 122.10 122.2122.37
4 D 110.26 110.2109.87
5 S 133.70 133.8133.87
6 S 125.70 125.9126.1
8 D 119.58 119.4118.67
9 S 108.90 108.8109.93
10 S 134.28 136.0136.0
11 D 62.00 62.462.4
12 T 28.01 26.627.0
13 D 118.61 118.3118.3
14 D 42.02 42.542.5
15 T 53.60 55.155.1
17 Q 43.40 43.443.4
18 S 172.21 174.3174.3
23 S 85.90 85.985.9
24 S 165.80 165.8165.8
26 S 102.80 102.8102.8
28 Q 23.63 23.823.8
30 D 56.10 56.156.1
31 S 164.20 164.2164.2
33 D 63.90 63.963.9
34 T 25.90 25.925.9
35 T 21.70 21.721.7
36 T 45.80 45.845.8
37 T 38.70 38.738.7
38 S 138.70 138.7138.7
39 D 129.90 129.9129.9
40 D 127.82 127.7128.55
41 D 126.62 127.4126.7
42 D 127.82 127.7128.55
43 D 129.90 129.9129.9





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 S 127.10 127.1127.39
2 D 111.50 111.0111.0
3 D 122.37 122.2122.1
4 D 109.87 110.2110.26
5 S 133.87 133.8133.7
6 S 126.10 125.9125.7
8 D 118.67 119.4119.58
9 S 109.93 108.8108.9
10 S 136.00 136.0134.28
11 D 62.40 62.462.0
12 T 27.00 26.628.01
13 D 118.30 118.3118.61
14 D 42.50 42.542.02
15 T 55.10 55.153.6
17 Q 43.40 43.443.4
18 S 174.30 174.3172.21
23 S 85.90 85.985.9
24 S 165.80 165.8165.8
26 S 102.80 102.8102.8
28 Q 23.80 23.823.63
30 D 56.10 56.156.1
31 S 164.20 164.2164.2
33 D 63.90 63.963.9
34 T 25.90 25.925.9
35 T 21.70 21.721.7
36 T 45.80 45.845.8
37 T 38.70 38.738.7
38 S 138.70 138.7138.7
39 D 129.90 129.9129.9
40 D 128.55 127.7127.82
41 D 126.70 127.4126.62
42 D 128.55 127.7127.82
43 D 129.90 129.9129.9






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