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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
D
128.6
130.26
128.6
2
S
109.2
116.22
109.2
3
S
149.8
150.28
149.8
4
D
109.4
112.63
109.4
5
S
128.8
131.03
128.8
6
D
189.4
188.96
189.4
7
S
148.5
148.9
148.5
8
Q
56.1
56.63
56.1
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
D
130.26
128.6
128.6
2
S
116.22
109.2
109.2
3
S
150.28
149.8
149.8
4
D
112.63
109.4
109.4
5
S
131.03
128.8
128.8
6
D
188.96
189.4
189.4
7
S
148.90
148.5
148.5
8
Q
56.63
56.1
56.1
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
D
128.6
128.6
130.26
2
S
109.2
109.2
116.22
3
S
149.8
149.8
150.28
4
D
109.4
109.4
112.63
5
S
128.8
128.8
131.03
6
D
189.4
189.4
188.96
7
S
148.5
148.5
148.9
8
Q
56.1
56.1
56.63
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