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spectrum keyword exact chiuz


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This molecule with some stereoconfiguration:


General   ChiuZ/Chloroform-D1 (CDCl3)  
Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
expt-0
ChiuZ
CSEARCH-Prediction 1
1 T 26.1 25.325.5
2 T 25.0 25.524.9
3 D 66.2 64.960.2
5 D 65.4 61.663.7
6 D 48.5 50.248.5
7 T 35.0 35.635.0
8 D 66.6 66.966.6
10 S 169.0 166.2167.1
12 Q 41.3 41.239.9
13 S 130.7 130.3131.2
14 D 131.8 129.7129.7
15 D 131.3 128.3128.8
16 D 136.6 132.9133.3
17 D 131.3 128.3128.8
18 D 131.8 129.7129.7
19 S 175.3 170.8175.3
21 Q 55.6 51.452.0





Spectral Data   Additional Data   Download  
Type: 13C
Atom
No. ⇓
Mult.(coupling const.)
CSEARCH-Prediction
Shift
expt-0
expt-1
ChiuZ
1 T 25.5 26.125.3
2 T 24.9 25.025.5
3 D 60.2 66.264.9
5 D 63.7 65.461.6
6 D 48.5 48.550.2
7 T 35.0 35.035.6
8 D 66.6 66.666.9
10 S 167.1 169.0166.2
12 Q 39.9 41.341.2
13 S 131.2 130.7130.3
14 D 129.7 131.8129.7
15 D 128.8 131.3128.3
16 D 133.3 136.6132.9
17 D 128.8 131.3128.3
18 D 129.7 131.8129.7
19 S 175.3 175.3170.8
21 Q 52.0 55.651.4






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