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General   RUB/Chloroform-D1 (CDCl3)   sdbs/Chloroform-D1 (CDCl3)  
Spectral Data   Additional Data   Download  
Type: 13C 100.0
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
expt-0
sdbs
CSEARCH-Prediction 1
expt-2
ocmainz inhouse-2
3 D 30.17 30.2530.330.1
4 T 45.12 45.1145.144.7
5 S 140.85 140.93137.8140.0
6 S 137.02 137.02140.8139.0
7 D 45.01 45.0845.044.8
8 Q 22.40 22.422.6
10 D 129.37 129.47127.2129.4
12 D 127.38 127.3129.3127.3
14 Q 18.13 18.1518.019.0
15 S 180.85 181.35181.3180.9

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Spectral Data   Additional Data   Download  
Type: 1H 400.0
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
expt-0
sdbs
1-H
3-H t sept (7.2,6.6,6.6) 1.89 1.835
4-H d (7.2) 2.48 2.438
7-H q (7.2) 3.74 3.695
8-H d (6.6);d;d 0.94 0.889
9-H
10-H d (8.0) 7.13 7.094
11-H
12-H d (8.0) 7.25 7.213
13-H
14-H d (7.2);d;d 1.54 1.486

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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
8 0.94 3 1.89
14 1.54 7 3.74
3 1.89 4 2.48
10 7.13 12 7.25

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Spectral Data   Additional Data   Download  
Type: H,C-HSQC 400.1300048828125
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Shift
8 0.94 22.4
14 1.54 18.13
3 1.89 30.17
4 2.48 45.12
7 3.74 45.01
10 7.13 129.37
12 7.25 127.38

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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
8 0.94 3 30.17
8 0.94 8 22.4
8 0.94 4 45.12
14 1.54 15 180.85
14 1.54 6 137.02
14 1.54 7 45.01
3 1.89 8 22.4
3 1.89 4 45.12
3 1.89 5 140.85
4 2.48 10 129.37
4 2.48 5 140.85
4 2.48 8 22.4
4 2.48 3 30.17
7 3.74 15 180.85
7 3.74 6 137.02
7 3.74 12 127.38
7 3.74 14 18.13
10 7.13 6 137.02
10 7.13 10 129.37
10 7.13 4 45.12
12 7.25 5 140.85
12 7.25 7 45.01
12 7.25 12 127.38

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DOI for this dataset: 10.18716/nmrshiftdb2/20200142/rub_cdcl3
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