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Spectral Data   Additional Data   Download  
Type: 13C 150.0
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
24 Q 56.6 56.655.7
20 T 62.1 62.162.1
17 S 169.5 169.5169.62
16 D 119.8 119.8111.0
15 S 124.7 124.7122.15
14 D 124.6 124.7123.77
13 D 117.8 117.8110.96
12 D 80.5 80.580.0
10 S 145.0 145.0144.9
9 S 149.0 149.0145.0
7 D 77.7 77.777.7
6 S 129.3 129.3126.7
5 D 121.9 121.9120.7
4 D 116.4 116.4115.4
3 S 148.6 148.6147.3
2 S 149.4 149.4147.8
1 D 112.2 112.2111.7





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
24 Q 56.6 56.655.7
20 T 62.1 62.162.1
17 S 169.5 169.5169.62
16 D 119.8 119.8111.0
15 D 124.7 124.7122.15
14 D 124.7 124.6123.77
13 D 117.8 117.8110.96
12 D 80.5 80.580.0
10 S 145.0 145.0144.9
9 S 149.0 149.0145.0
7 D 77.7 77.777.7
6 S 129.3 129.3126.7
5 D 121.9 121.9120.7
4 D 116.4 116.4115.4
3 S 148.6 148.6147.3
2 S 149.4 149.4147.8
1 D 112.2 112.2111.7





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
24 Q 55.70 56.656.6
20 T 62.10 62.162.1
17 S 169.62 169.5169.5
16 D 111.00 119.8119.8
15 S 122.15 124.7124.7
14 D 123.77 124.6124.7
13 D 110.96 117.8117.8
12 D 80.00 80.580.5
10 S 144.90 145.0145.0
9 S 145.00 149.0149.0
7 D 77.70 77.777.7
6 S 126.70 129.3129.3
5 D 120.70 121.9121.9
4 D 115.40 116.4116.4
3 S 147.30 148.6148.6
2 S 147.80 149.4149.4
1 D 111.70 112.2112.2






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