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Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 S 182.3 182.3182.3
2 S 181.4 181.4181.3
3 S 148.6 144.5146.7
4 D 140.3 141.75140.2
5 S 134.9 128.2134.9
6 S 128.2 134.9128.2
7 D 128.1 128.1128.25
8 D 136.7 134.54136.7
9 S 140.0 137.31140.0
10 S 144.6 140.0144.6
11 D 26.9 26.926.85
12 Q 21.5 21.521.45
13 Q 21.5 21.521.45
14 Q 19.8 19.819.8
15 T 30.6 30.630.6
16 T 23.8 23.823.8
17 T 44.2 44.244.2
18 S 71.1 71.171.1
19 Q 29.2 29.229.2
20 Q 29.2 29.229.2





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 S 182.30 182.3182.3
2 S 181.40 181.4181.3
3 S 144.50 148.6146.7
4 D 141.75 140.3140.2
5 S 128.20 134.9134.9
6 S 134.90 128.2128.2
7 D 128.10 128.1128.25
8 D 134.54 136.7136.7
9 S 137.31 140.0140.0
10 S 140.00 144.6144.6
11 D 26.90 26.926.85
12 Q 21.50 21.521.45
13 Q 21.50 21.521.45
14 Q 19.80 19.819.8
15 T 30.60 30.630.6
16 T 23.80 23.823.8
17 T 44.20 44.244.2
18 S 71.10 71.171.1
19 Q 29.20 29.229.2
20 Q 29.20 29.229.2





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 S 182.30 182.3182.3
2 S 181.30 181.4181.4
3 S 146.70 148.6144.5
4 D 140.20 140.3141.75
5 S 134.90 134.9128.2
6 S 128.20 128.2134.9
7 D 128.25 128.1128.1
8 D 136.70 136.7134.54
9 S 140.00 140.0137.31
10 S 144.60 144.6140.0
11 D 26.85 26.926.9
12 Q 21.45 21.521.5
13 Q 21.45 21.521.5
14 Q 19.80 19.819.8
15 T 30.60 30.630.6
16 T 23.80 23.823.8
17 T 44.20 44.244.2
18 S 71.10 71.171.1
19 Q 29.20 29.229.2
20 Q 29.20 29.229.2






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