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
Spectral Data
Additional Data
Download
Type: 13C 100
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1
D
126.1
52.0
52.0
2
D
126.3
3
D
127.4
172.6
172.6
4
S
134.2
5
S
130.1
31.0
24.0
6
S
130.8
24.0
31.0
7
D
118.8
162.3
162.3
8
D
122.5
9
S
119.7
133.0
133.0
10
S
116.8
143.0
142.96
11
S
133.0
12
S
143.0
112.2
124.0
13
S
162.3
114.7
116.57
14
S
112.2
9.3
11.21
15
S
150.5
141.6
143.12
16
D
114.7
17
Q
20.2
150.5
151.64
18
Q
9.3
116.8
116.8
19
T
31.0
118.8
122.5
20
T
24.0
122.5
118.8
21
S
172.6
130.8
130.8
22
Q
52.0
134.2
134.2
Spectral Data
Additional Data
Download
Type: 1H 400
Atom
Mult.(coupling const.)
Meas.
Shift
1-H
d
10.25
2-H
dd
7.66
3-H
d
7.49
7-H
d
8.11
8-H
d
8.37
16-H
17-H
s;s;s
2.82
18-H
d;d;d
2.55
19-H
t
3.13
20-H
t
3.47
22-H
s;s;s
3.78
23-H
q
7.63
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
1
Q
52.0
126.1
52.0
3
S
172.6
127.4
172.6
5
T
31.0
130.1
24.0
6
T
24.0
130.8
31.0
7
S
162.3
118.8
162.3
9
S
133.0
119.7
133.0
10
S
143.0
116.8
142.96
12
S
112.2
143.0
124.0
13
S
114.7
162.3
116.57
14
Q
9.3
112.2
11.21
15
D
141.6
150.5
143.12
17
S
150.5
20.2
151.64
18
S
116.8
9.3
116.8
19
D
118.8
31.0
122.5
20
D
122.5
24.0
118.8
21
S
130.8
172.6
130.8
22
S
134.2
52.0
134.2
23
Q
20.2
20.2
24
D
127.4
127.4
25
D
126.3
126.3
26
D
126.1
126.1
27
S
130.1
130.1
28
S
119.7
124.65
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
1
Q
52.00
126.1
52.0
3
S
172.60
127.4
172.6
5
T
24.00
130.1
31.0
6
T
31.00
130.8
24.0
7
S
162.30
118.8
162.3
9
S
133.00
119.7
133.0
10
S
142.96
116.8
143.0
12
S
124.00
143.0
112.2
13
S
116.57
162.3
114.7
14
Q
11.21
112.2
9.3
15
D
143.12
150.5
141.6
17
S
151.64
20.2
150.5
18
S
116.80
9.3
116.8
19
D
122.50
31.0
118.8
20
D
118.80
24.0
122.5
21
S
130.80
172.6
130.8
22
S
134.20
52.0
134.2
23
Q
20.20
20.2
24
D
127.40
127.4
25
D
126.30
126.3
26
D
126.10
126.1
27
S
130.10
130.1
28
S
124.65
119.7
Report incorrect data
Copy molecule link
nmrshiftdb2 (V. 1.4.15, nmrshiftdb.nmr.uni-koeln.de, currently 1861 users, 5178000 since 2010-12-14 23:09:00.0) ©
NMRShiftDB project
2002-2010, © Stefan Kuhn 2010 - 2019.
Credits