Current usage is:
Registered Users: 2392
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 some stereoconfiguration:
Spectral Data
Additional Data
Download
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1
S
127.1
127.39
127.1
2
D
111.0
111.0
111.5
3
D
122.2
122.1
122.37
4
D
110.2
110.26
109.87
5
S
133.8
133.7
133.87
6
S
125.9
125.7
126.1
8
D
119.4
119.58
118.67
9
S
108.8
108.9
109.93
10
S
136.0
134.28
136.0
11
D
62.4
62.0
62.4
12
T
26.6
28.01
27.0
13
D
118.3
118.61
118.3
14
D
42.5
42.02
42.5
15
T
55.1
53.6
55.1
17
Q
43.4
43.4
43.4
18
S
174.3
172.21
174.3
23
S
85.9
85.9
85.9
24
S
165.8
165.8
165.8
26
S
102.8
102.8
102.8
28
Q
23.8
23.63
23.8
30
D
56.1
56.1
56.1
31
S
164.2
164.2
164.2
33
D
63.9
63.9
63.9
34
T
25.9
25.9
25.9
35
T
21.7
21.7
21.7
36
T
45.8
45.8
45.8
37
T
38.7
38.7
38.7
38
S
138.7
138.7
138.7
39
D
129.9
129.9
129.9
40
D
127.7
127.82
128.55
41
D
127.4
126.62
126.7
42
D
127.7
127.82
128.55
43
D
129.9
129.9
129.9
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
S
127.39
127.1
127.1
2
D
111.00
111.0
111.5
3
D
122.10
122.2
122.37
4
D
110.26
110.2
109.87
5
S
133.70
133.8
133.87
6
S
125.70
125.9
126.1
8
D
119.58
119.4
118.67
9
S
108.90
108.8
109.93
10
S
134.28
136.0
136.0
11
D
62.00
62.4
62.4
12
T
28.01
26.6
27.0
13
D
118.61
118.3
118.3
14
D
42.02
42.5
42.5
15
T
53.60
55.1
55.1
17
Q
43.40
43.4
43.4
18
S
172.21
174.3
174.3
23
S
85.90
85.9
85.9
24
S
165.80
165.8
165.8
26
S
102.80
102.8
102.8
28
Q
23.63
23.8
23.8
30
D
56.10
56.1
56.1
31
S
164.20
164.2
164.2
33
D
63.90
63.9
63.9
34
T
25.90
25.9
25.9
35
T
21.70
21.7
21.7
36
T
45.80
45.8
45.8
37
T
38.70
38.7
38.7
38
S
138.70
138.7
138.7
39
D
129.90
129.9
129.9
40
D
127.82
127.7
128.55
41
D
126.62
127.4
126.7
42
D
127.82
127.7
128.55
43
D
129.90
129.9
129.9
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
S
127.10
127.1
127.39
2
D
111.50
111.0
111.0
3
D
122.37
122.2
122.1
4
D
109.87
110.2
110.26
5
S
133.87
133.8
133.7
6
S
126.10
125.9
125.7
8
D
118.67
119.4
119.58
9
S
109.93
108.8
108.9
10
S
136.00
136.0
134.28
11
D
62.40
62.4
62.0
12
T
27.00
26.6
28.01
13
D
118.30
118.3
118.61
14
D
42.50
42.5
42.02
15
T
55.10
55.1
53.6
17
Q
43.40
43.4
43.4
18
S
174.30
174.3
172.21
23
S
85.90
85.9
85.9
24
S
165.80
165.8
165.8
26
S
102.80
102.8
102.8
28
Q
23.80
23.8
23.63
30
D
56.10
56.1
56.1
31
S
164.20
164.2
164.2
33
D
63.90
63.9
63.9
34
T
25.90
25.9
25.9
35
T
21.70
21.7
21.7
36
T
45.80
45.8
45.8
37
T
38.70
38.7
38.7
38
S
138.70
138.7
138.7
39
D
129.90
129.9
129.9
40
D
128.55
127.7
127.82
41
D
126.70
127.4
126.62
42
D
128.55
127.7
127.82
43
D
129.90
129.9
129.9
Report incorrect data
Copy molecule link
nmrshiftdb2 (V. 1.4.15, nmrshiftdb.nmr.uni-koeln.de, currently 1324 users, 5179953 since 2010-12-14 23:09:00.0) ©
NMRShiftDB project
2002-2010, © Stefan Kuhn 2010 - 2019.
Credits