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Details
Spectral Data
Additional Data
Download
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1
S
132.9
132.9
132.9
2
S
149.6
149.6
149.6
3
S
145.8
145.8
145.8
5
D
138.6
138.6
138.6
6
S
131.9
131.9
131.9
7
Q
18.9
18.9
18.9
10
T
56.6
56.6
56.6
13
T
58.7
58.7
58.7
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
S
132.9
132.9
132.9
2
S
149.6
149.6
149.6
3
S
145.8
145.8
145.8
5
D
138.6
138.6
138.6
6
S
131.9
131.9
131.9
7
Q
18.9
18.9
18.9
10
T
56.6
56.6
56.6
13
T
58.7
58.7
58.7
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
S
132.9
132.9
132.9
2
S
149.6
149.6
149.6
3
S
145.8
145.8
145.8
5
D
138.6
138.6
138.6
6
S
131.9
131.9
131.9
7
Q
18.9
18.9
18.9
10
T
56.6
56.6
56.6
13
T
58.7
58.7
58.7
Spectral Data
Additional Data
Download
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
5-H
8.122
7-H
2.617
8-H
6.00 (H 9)
10-H
4.794
11-H
6.00 (H 12)
13-H
4.723
14-H
6.00 (H 15)
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