nmrshiftdb2 - open nmr database on the web

Details

This molecule with other stereoconfigurations:

Spectral Data

Additional Data

Download

Type: 13C

Atom	Mult.(coupling const.)	Prediction Shift	Prediction 0 hose_lotusv7
1	Q	11.98	12.3
2	T	23.16	23.0
3	D	45.80	46.05
4	T	26.10	26.4
5	T	33.90	34.0
6	D	35.16	36.3
7	Q	18.90	18.8
8	D	51.68	56.1
9	T	28.16	28.93
10	T	27.89	24.79
11	D	54.63	57.11
12	D	41.58	39.8
13	T	30.39	31.34
14	T	35.25	28.17
15	D	30.36	37.34
16	T	39.76	39.67
17	D	69.15	68.83
19	T	32.08	32.27
20	T	27.38	26.3
21	D	47.46	39.17
22	D	47.92	38.3
23	T	22.10	26.94
24	T	34.99	41.07
25	S	42.76	43.34
26	Q	12.73	12.39
27	D	29.55	28.95
28	Q	19.79	19.2
29	Q	19.04	19.2

Spectral Data

Additional Data

Download

Type: 13C

Atom	Mult.(coupling const.)	Prediction Shift	Prediction 0 acd_lotusv7
1	Q	12.30	11.98
2	T	23.00	23.16
3	D	46.05	45.8
4	T	26.40	26.1
5	T	34.00	33.9
6	D	36.30	35.16
7	Q	18.80	18.9
8	D	56.10	51.68
9	T	28.93	28.16
10	T	24.79	27.89
11	D	57.11	54.63
12	D	39.80	41.58
13	T	31.34	30.39
14	T	28.17	35.25
15	D	37.34	30.36
16	T	39.67	39.76
17	D	68.83	69.15
19	T	32.27	32.08
20	T	26.30	27.38
21	D	39.17	47.46
22	D	38.30	47.92
23	T	26.94	22.1
24	T	41.07	34.99
25	S	43.34	42.76
26	Q	12.39	12.73
27	D	28.95	29.55
28	Q	19.20	19.79
29	Q	19.20	19.04