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This molecule with other stereoconfigurations:


chemie koeln/Chloroform-D1 (CDCl3)   chemie koeln/Deuteriumoxide (D2O)   chemie koeln/Cyclohexane  
Spectral Data   Additional Data   Download  
Type: 13C 125.03250122070312
Atom
No.
Mult.(coupling const.)
Meas.
Shift
1 D 97.87
3 D 80.40
2 D 77.96
4 D 76.15
6 T 71.17
5 D 68.94
10 Q 61.32
11 Q 59.35
8 Q 58.95
9 Q 58.01
7 Q 55.43

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Spectral Data   Additional Data   Download  
Type: 1H 500.13
Atom
No.
Mult.(coupling const.)
Meas.
Shift
expt-0
chemie koeln
expt-1
chemie koeln
1-H 4.89 4.675.05
3-H 3.56 3.513.61
2-H 3.66 3.593.53
4-H 3.71 3.583.96
6-H 3.58, 3.54 3.553.7
5-H 3.87 3.764.0
10-H 3.59 3.53.51
11-H 3.43 3.333.42
8-H 3.54 3.413.45
9-H 3.54 3.473.49
7-H 3.44 3.313.41

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Spectral Data   Additional Data   Download  
Type: H,H-COSY 500.1300048828125
Axis: 1 (H)
Axis: 2 (H)
Atom
Shift
Atom
Shift ⇑
5 3.87 4 3.71
1 4.89 2 3.66
5 3.87 6 3.58
2 3.66 3 3.56
4 3.71 3 3.56
5 3.87 6 3.54

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Spectral Data   Additional Data   Download  
Type: H,C-HSQC 500.1300048828125
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Shift ⇑
1 4.89 97.87
3 3.56 80.4
2 3.66 77.96
4 3.71 76.15
6 3.58 71.17
6 3.54 71.17
5 3.87 68.94
10 3.59 61.32
11 3.43 59.35
8 3.54 58.95
9 3.54 58.01
7 3.44 55.43

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Spectral Data   Additional Data   Download  
Type: H,C-HMBC 500.1300048828125
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Atom
Shift ⇑
7 3.44 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 97.87
9 3.54 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 80.4
2 3.66 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 80.4
8 3.54 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 77.96
3 3.56 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 77.96
10 3.59 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 76.15
5 3.87 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 76.15
11 3.43 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 71.17
5 3.87 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 71.17
7 3.44 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 71.17
6 3.58 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 68.94
6 3.54 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 68.94
4 3.71 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 61.32
2 3.66 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 58.95

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Spectral Data   Additional Data   Download  
Type: DEPTQ 125.7577896118164
Atom
No.
Mult.(coupling const.)
Meas.
Shift
1 D 96.40
3 D 78.77
2 D 76.63
4 D 75.57
6 T 71.49
5 D 68.74
10 Q 60.89
11 Q 58.43
8 Q 57.51
9 Q 56.81
7 Q 54.91






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