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This molecule with other stereoconfigurations:


chemie koeln/Deuteriumoxide (D2O)   chemie koeln/Chloroform-D1 (CDCl3)   chemie koeln/Cyclohexane  
Spectral Data   Additional Data   Download  
Type: 13C 125
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
expt-0
chemie koeln
expt-1
chemie koeln
1 97.42 98.8297.47
2 75.77 77.2277.1
3 79.51 82.581.14
4 76.20 76.2976.47
5 69.82 76.0471.19
6 71.04 71.6371.85
7 54.88 53.4754.86
8 58.22 58.3159.25
9 56.75 56.7757.58
10 60.07 59.5660.77
11 58.33 58.2759.41





Spectral Data   Additional Data   Download  
Type: 1H 500.1300048828125
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
expt-0
chemie koeln
expt-1
chemie koeln
1-H 4.84 4.814.59
10-H 3.42 3.533.45
11-H 3.33 3.413.34
2-H 3.73 3.563.44
3-H 3.50 3.53.41
4-H 3.28 3.433.38
5-H 3.61 3.583.4
6-H 3.63, 3.58 3.613.55
7-H 3.33 3.383.28
8-H 3.38 3.483.42
9-H 3.39 3.53.4

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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
3 3.5 4 3.28
5 3.61 4 3.28
6 3.63 6 3.58
6 3.63 5 3.61
2 3.73 3 3.5
1 4.84 2 3.73

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Spectral Data   Additional Data   Download  
Type: H,C-HSQC 500.1300048828125
Axis: 1 (H)
Axis: 2 (C)
Atom
Shift
Shift
4 3.28 76.2
11 3.33 58.33
7 3.33 54.88
8 3.38 58.22
9 3.39 56.75
10 3.42 60.07
3 3.5 79.51
6 3.58 71.04
5 3.61 69.82
6 3.63 71.04
2 3.73 75.77
1 4.84 97.42

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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
4 3.28 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 60.07
4 3.28 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 69.82
4 3.28 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 71.04
4 3.28 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 79.51
7 3.33 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 97.42
11 3.33 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 71.04
8 3.38 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 75.77
9 3.39 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 79.51
10 3.42 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 76.2
3 3.5 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 56.75
3 3.5 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 76.2
3 3.5 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 75.77
6 3.58 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 58.33
5 3.61 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 76.2
6 3.63 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 58.33
6 3.63 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 79.51
6 3.63 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 76.2
2 3.73 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 79.51
2 3.73 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 58.22
1 4.84 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 54.88
1 4.84 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 69.82
1 4.84 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 79.51
1 4.84 $axis.getMdlNumberPlus1OrIdentifier($spectrum.getSpectrumId()) 75.77

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