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Details
This molecule with some stereoconfiguration:
Spectral Data
Additional Data
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Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1
T
30.26
32.0
30.26
2
T
31.37
33.6
31.37
3
D
55.52
56.1
55.52
4
Q
15.40
15.72
15.4
5
S
175.48
171.31
175.48
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Speclib
Prediction 1
hose_lotusv7
1
T
32.00
30.26
30.26
2
T
33.60
31.37
31.37
3
D
56.10
55.52
55.52
4
Q
15.72
15.4
15.4
5
S
171.31
175.48
175.48
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Speclib
Prediction 1
acd_lotusv7
1
T
30.26
30.26
32.0
2
T
31.37
31.37
33.6
3
D
55.52
55.52
56.1
4
Q
15.40
15.4
15.72
5
S
175.48
175.48
171.31
Spectral Data
Additional Data
Download
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
1-H
2.640
2-H
2.160
3-H
3.861
4-H
2.140
7-H
8-H
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