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This molecule without stereoconfiguration:

This molecule with other stereoconfigurations:


General   acd_lotusv7/   hose_lotusv7/  
Spectral Data   Additional Data   Download  
Type: 13C 37.5
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
Prediction 1
acd_lotusv7
Prediction 2
acd_lotusv7
Prediction 3
hose_lotusv7
Prediction 4
hose_lotusv7
1 D 122.121 123.94123.28123.28122.7122.7
2 D 115.563 116.46115.9115.9115.45115.45
3 S 146.536 150.43149.65149.65149.24149.24
4 S 147.543 149.3148.45148.45148.87148.87
5 D 110.889 111.71111.38111.38115.6115.6
6 S 128.024 127.77126.26126.26125.8125.8
7 D 141.068 146.89145.43145.43144.5144.5
8 D 121.641 115.89115.63115.63115.6115.6
9 S 176.148 170.93168.98168.98168.25168.25
14 Q 55.852 56.4455.9755.9755.755.7





Spectral Data   Additional Data   Download  
13C Spectrum
60006239 Rating: 9 (9: 9: nmrshiftdb2 quality check: accept/reliability: good (admin))
Type13C
Measurement conditions
Temperature [K]298
SolventMethanol-D4 (CD3OD)
Field Strength [MHz]37.5
Assignment Method1H, H,H-COSY, H,H-NOESY, H,C-HMQC, H,C-HMBC, DEPTQ, 1H, 13C, 1H, H,H-COSY
Literature
Additional commentsBMRB
nmrshiftdb2 quality report Download
Additional information
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 1H 37.5
Atom
Mult.(coupling const.)
Meas.
Shift
1-H 7.053
2-H 6.867
5-H 7.145
7-H 7.286
8-H 6.348
11-H
12-H
14-H 3.858






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