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General   RUB/Chloroform-D1 (CDCl3)  
Spectral Data   Additional Data   Download  
Type: 13C 100.0
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
Prediction 1
acd_lotusv7
Prediction 2
hose_lotusv7
9 D 136.97 136.9137.22136.94
8 D 117.74 118.1118.62117.92
4 S 140.01 140.2140.34140.1
3 D 136.51 136.4136.6136.46
2 D 122.69 122.6122.8122.64
1 D 137.22 136.9137.13137.06

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Spectral Data   Additional Data   Download  
Type: 1H 400.0
Atom
Mult.(coupling const.)
Meas.
Shift
10-H
9-H t (3.8) 7.84
8-H d 7.33
7-H
6-H
3-H d (9.2) 8.28
2-H dd 7.09
1-H t (9.8) 7.51

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Spectral Data   Additional Data   Download  
Type: H,H-COSY 400.1300048828125
Axis: 1 (H)
Axis: 2 (H)
Atom
Shift
Atom
Shift
1 7.51 3 8.28
8 7.33 9 7.84
2 7.09 3 8.28
2 7.09 1 7.51

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Spectral Data   Additional Data   Download  
Type: H,C-HSQC 400.1300048828125
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Shift
3 8.28 136.51
9 7.84 136.97
1 7.51 137.22
8 7.33 117.74
2 7.09 122.69

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Spectral Data   Additional Data   Download  
Type: H,C-HMBC 400.1300048828125
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Atom
Shift
3 8.28 8 117.74
3 8.28 4 140.01
3 8.28 1 137.22
9 7.84 8 117.74
9 7.84 4 140.01
1 7.51 3 136.51
8 7.33 4 140.01
8 7.33 3 136.51
2 7.09 4 140.01
2 7.09 2 122.69

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DOI for this dataset: 10.18716/nmrshiftdb2/10016513/rub_cdcl3
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