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Details
General
NMReDATA_chemie koeln_Classics in Spectroscopy/Chloroform-D1 (CDCl3)
Spectral Data
Additional Data
Download
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1
D
134.7
137.07
134.7
2
S
135.7
143.87
135.7
3
D
136.4
133.3
136.4
4
D
125.0
127.66
125.0
5
S
144.3
145.81
144.3
6
S
137.4
136.41
137.4
7
S
136.2
137.15
136.2
8
D
136.1
136.79
136.1
9
S
125.1
127.19
125.1
10
D
112.8
115.81
112.8
11
T
33.8
28.87
33.8
12
Q
17.4
15.76
17.4
13
Q
24.1
24.08
24.1
14
Q
12.9
12.9
12.9
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
D
137.07
134.7
134.7
2
S
143.87
135.7
135.7
3
D
133.30
136.4
136.4
4
D
127.66
125.0
125.0
5
S
145.81
144.3
144.3
6
S
136.41
137.4
137.4
7
S
137.15
136.2
136.2
8
D
136.79
136.1
136.1
9
S
127.19
125.1
125.1
10
D
115.81
112.8
112.8
11
T
28.87
33.8
33.8
12
Q
15.76
17.4
17.4
13
Q
24.08
24.1
24.1
14
Q
12.90
12.9
12.9
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
D
134.7
134.7
137.07
2
S
135.7
135.7
143.87
3
D
136.4
136.4
133.3
4
D
125.0
125.0
127.66
5
S
144.3
144.3
145.81
6
S
137.4
137.4
136.41
7
S
136.2
136.2
137.15
8
D
136.1
136.1
136.79
9
S
125.1
125.1
127.19
10
D
112.8
112.8
115.81
11
T
33.8
33.8
28.87
12
Q
17.4
17.4
15.76
13
Q
24.1
24.1
24.08
14
Q
12.9
12.9
12.9
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