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Spectra: Measured 68116, calculated 396582
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Details
Spectral Data
Additional Data
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Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
T
111.82
111.99
2
D
145.70
145.08
3
S
72.72
73.84
4
Q
28.24
27.89
6
T
41.49
42.66
7
T
22.20
19.27
8
S
138.91
140.2
9
S
126.10
126.07
10
Q
19.84
19.69
11
T
32.60
32.57
12
T
20.51
26.94
13
D
47.49
38.55
14
D
45.93
45.26
15
D
70.38
69.6
16
Q
22.25
20.7
18
T
30.90
26.92
19
T
22.48
21.7
20
T
37.18
36.21
21
S
36.31
39.81
22
Q
20.50
21.65
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
T
111.99
111.82
2
D
145.08
145.7
3
S
73.84
72.72
4
Q
27.89
28.24
6
T
42.66
41.49
7
T
19.27
22.2
8
S
140.20
138.91
9
S
126.07
126.1
10
Q
19.69
19.84
11
T
32.57
32.6
12
T
26.94
20.51
13
D
38.55
47.49
14
D
45.26
45.93
15
D
69.60
70.38
16
Q
20.70
22.25
18
T
26.92
30.9
19
T
21.70
22.48
20
T
36.21
37.18
21
S
39.81
36.31
22
Q
21.65
20.5
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