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This molecule without stereoconfiguration:

This molecule with other stereoconfigurations:


General   sdbs  
Spectral Data   Additional Data   Download  
Type: 13C 37.5
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
sdbs
expt-1
expt-2
Prediction 3
acd_lotusv7
Prediction 4
hose_lotusv7
1 S 170.3 167.87172.9170.3169.9172.9
1 S 131.3 128.34132.5131.3129.6132.5
2 D 138.6 138.59140.0138.6137.0140.0
3 D 67.4 70.3268.567.466.368.5
4 D 73.1 66.7473.873.170.973.8
5 D 68.4 65.4269.368.465.669.3
6 T 32.0 29.8933.132.030.233.1





Spectral Data   Additional Data   Download  
13C Spectrum
60006153 Rating: 9 (9: 9: nmrshiftdb2 quality check: accept/reliability: excellent (admin))
Type13C
Measurement conditions
Temperature [K]298
SolventMethanol-D4 (CD3OD)
Field Strength [MHz]125.0
Assignment Method1H, H,H-COSY, H,H-NOESY, H,C-HMQC, H,C-HMBC, DEPTQ, 1H, 13C, 1H, H,H-COSY
Literature
Additional comments
nmrshiftdb2 quality report Download
Additional information
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 13C 100
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
sdbs
expt-1
expt-2
Prediction 3
acd_lotusv7
Prediction 4
hose_lotusv7
1 S 172.9 167.87170.3170.3169.9172.9
2 D 140.0 138.59138.6138.6137.0140.0
3 S 132.5 128.34131.3131.3129.6132.5
4 T 33.1 29.8932.032.030.233.1
5 D 69.3 65.4268.468.465.669.3
6 D 73.8 66.7473.173.170.973.8
7 D 68.5 70.3267.467.466.368.5





Spectral Data   Additional Data   Download  
Type: 1H 125.0
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
sdbs
2-H 6.81 6.584
3-H 4.41 4.22
4-H 3.72 3.56
5-H 4.01 3.847
6-H 2.72, 2.20 2.407
8-H
9-H
10-H
12-H





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
sdbs
expt-1
expt-2
expt-3
Prediction 4
hose_lotusv7
1 S 169.9 167.87172.9170.3170.3172.9
2 D 137.0 138.59140.0138.6138.6140.0
3 S 129.6 128.34132.5131.3131.3132.5
4 T 30.2 29.8933.132.032.033.1
5 D 65.6 65.4269.368.468.469.3
6 D 70.9 66.7473.873.173.173.8
7 D 66.3 70.3268.567.467.468.5





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
sdbs
expt-1
expt-2
expt-3
Prediction 4
acd_lotusv7
1 S 172.9 167.87172.9170.3170.3169.9
2 D 140.0 138.59140.0138.6138.6137.0
3 S 132.5 128.34132.5131.3131.3129.6
4 T 33.1 29.8933.132.032.030.2
5 D 69.3 65.4269.368.468.465.6
6 D 73.8 66.7473.873.173.170.9
7 D 68.5 70.3268.567.467.466.3






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