Current usage is:
Registered Users: 2390
Structures: 271631
Spectra: Measured 68119, calculated 396582
Username:
Password:
Use cookies for persistant login
Create New Account
(Only necessary for
contributing data)
Forgot password?
Impressum
Problems using nmrshiftdb2?
See our
tips on browsers to use
!
Home
Search
Results
Quick Check
Predict
Assignment
Submit
Review
Help
Search Results
You did not do a search!
Bookmarks
You could bookmark structures if you were logged in!
Details
This molecule with other stereoconfigurations:
User input (2D)
Spectral Data
Additional Data
Download
Type: 13C 150.0
Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
23'
D
130.0
130.72
129.65
23
D
129.3
130.32
129.65
22'
D
128.0
129.74
128.33
22
D
127.8
129.71
128.33
21'
D
126.2
127.93
126.11
21
D
126.1
127.92
126.11
20'
D
128.0
129.74
128.33
20
D
127.8
129.71
128.33
19'
D
130.0
130.72
129.65
19
D
129.3
130.32
129.65
18'
S
134.7
137.75
135.85
18
S
137.0
137.21
135.85
17'
T
39.5
36.44
36.95
17
T
34.4
36.88
36.95
16'
S
164.6
169.31
166.35
16
S
168.1
168.46
166.35
15'
D
56.9
57.35
56.35
15
D
55.8
57.09
56.35
13'
S
167.7
169.81
168.3
13
S
168.9
169.77
168.3
12'
T
36.2
36.71
35.45
12
T
34.7
36.71
35.45
11'
D
56.0
58.32
56.25
11
D
56.5
58.32
56.25
9'
S
151.3
150.33
150.2
9
S
149.1
150.33
150.2
8'
D
108.8
110.81
108.9
8
D
109.0
110.5
108.9
7'
D
129.0
130.51
128.97
7
D
128.5
130.2
128.97
6'
D
117.7
120.68
117.7
6
D
117.7
119.6
117.7
5'
D
124.3
126.21
124.7
5
D
125.1
126.21
124.7
4'
S
126.7
131.84
133.2
4
S
139.7
131.84
133.2
3'
S
58.3
60.77
58.5
3
S
58.7
59.91
58.5
2'
D
76.9
80.42
77.9
2
D
78.9
80.42
77.9
Double click upper part to get resizeable window!
Spectral Data
Additional Data
Download
Type: 1H 600.0
Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
24-H
23-H
m
7.13
23'-H
m
7.01
22-H
m
7.06
22'-H
m
6.85
21-H
m
7.06
21'-H
m
6.84
20-H
m
7.06
20'-H
m
6.85
19-H
m
7.13
19'-H
m
7.01
17-H
m
2.97
17'-H
dd;dd
2.74, 3.01
15-H
br t
4.21
15'-H
m
3.99
14-H
s
7.75
14'-H
d
8.10
12-H
dd;dd
2.23, 2.82
12'-H
t;m
2.15, 2.25
11-H
br t
4.03
11'-H
dd
1.83
8-H
d
6.65
8'-H
d
6.74
7-H
m
7.0
7'-H
m
7.13
6-H
td
6.59
6'-H
td
6.63
5-H
m
7.06
5'-H
d
7.21
4-H
2-H
br s
4.83
2'-H
br s
4.83
Double click upper part to get resizeable window!
Spectral Data
Additional Data
Download
Type: 13C
Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
50
D
130.72
130.0
129.65
49
D
130.72
130.0
129.65
48
T
36.44
39.5
36.95
47
S
169.31
164.6
166.35
46
D
80.42
76.9
77.9
45
D
120.68
117.7
117.7
44
S
131.84
126.7
133.2
43
D
110.81
108.8
108.9
40
D
130.32
129.3
129.65
39
D
129.71
127.8
128.33
38
D
127.92
126.1
126.11
37
D
129.71
127.8
128.33
36
D
130.32
129.3
129.65
35
S
137.21
137.0
135.85
34
T
36.88
34.4
36.95
33
S
169.77
168.9
168.3
31
D
57.09
55.8
56.35
30
S
168.46
168.1
166.35
29
T
36.71
34.7
35.45
28
D
58.32
56.5
56.25
26
S
59.91
58.7
58.5
25
D
80.42
78.9
77.9
23
D
130.20
128.5
128.97
22
D
119.60
117.7
117.7
21
D
126.21
125.1
124.7
20
S
131.84
139.7
133.2
19
S
150.33
149.1
150.2
18
D
110.50
109.0
108.9
15
D
129.74
128.0
128.33
14
D
127.93
126.2
126.11
13
D
129.74
128.0
128.33
12
S
137.75
134.7
135.85
11
S
169.81
167.7
168.3
9
D
57.35
56.9
56.35
8
T
36.71
36.2
35.45
7
D
58.32
56.0
56.25
5
S
60.77
58.3
58.5
3
D
130.51
129.0
128.97
2
D
126.21
124.3
124.7
1
S
150.33
151.3
150.2
Double click upper part to get resizeable window!
Spectral Data
Additional Data
Download
Type: 13C
Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
50
D
129.65
130.0
130.72
49
D
129.65
130.0
130.72
48
T
36.95
39.5
36.44
47
S
166.35
164.6
169.31
46
D
77.90
76.9
80.42
45
D
117.70
117.7
120.68
44
S
133.20
126.7
131.84
43
D
108.90
108.8
110.81
40
D
129.65
129.3
130.32
39
D
128.33
127.8
129.71
38
D
126.11
126.1
127.92
37
D
128.33
127.8
129.71
36
D
129.65
129.3
130.32
35
S
135.85
137.0
137.21
34
T
36.95
34.4
36.88
33
S
168.30
168.9
169.77
31
D
56.35
55.8
57.09
30
S
166.35
168.1
168.46
29
T
35.45
34.7
36.71
28
D
56.25
56.5
58.32
26
S
58.50
58.7
59.91
25
D
77.90
78.9
80.42
23
D
128.97
128.5
130.2
22
D
117.70
117.7
119.6
21
D
124.70
125.1
126.21
20
S
133.20
139.7
131.84
19
S
150.20
149.1
150.33
18
D
108.90
109.0
110.5
15
D
128.33
128.0
129.74
14
D
126.11
126.2
127.93
13
D
128.33
128.0
129.74
12
S
135.85
134.7
137.75
11
S
168.30
167.7
169.81
9
D
56.35
56.9
57.35
8
T
35.45
36.2
36.71
7
D
56.25
56.0
58.32
5
S
58.50
58.3
60.77
3
D
128.97
129.0
130.51
2
D
124.70
124.3
126.21
1
S
150.20
151.3
150.33
Double click upper part to get resizeable window!
Report incorrect data
Copy molecule link
nmrshiftdb2 (V. 1.4.15, nmrshiftdb.nmr.uni-koeln.de, currently 1359 users, 5169400 since 2010-12-14 23:09:00.0) ©
NMRShiftDB project
2002-2010, © Stefan Kuhn 2010 - 2019.
Credits