nmrshiftdb2 - open nmr database on the web

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Spectral Data

Additional Data

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Type: 13C

Atom	Mult.(coupling const.)	Prediction Shift	Prediction 0 hose_lotusv7
1	Q	18.08	13.91
2	S	39.58	41.52
3	T	42.18	39.81
4	T	18.24	19.0
5	T	38.77	38.5
6	S	45.78	44.7
7	Q	28.69	28.4
8	S	177.27	176.9
11	D	96.00	95.8
13	D	79.27	78.19
14	T	62.32	62.9
16	D	71.20	71.06
18	D	79.20	80.3
20	D	74.25	74.0
22	D	52.34	57.41
23	T	20.68	19.82
24	T	40.06	35.15
25	S	48.12	46.1
26	D	163.17	136.8
27	S	151.21	140.71
28	D	189.32	192.7
30	S	85.47	84.92
32	D	98.86	97.0
34	D	77.71	78.1
35	T	62.45	62.64
37	D	71.43	71.23
39	D	77.67	76.9
41	D	74.61	74.85
43	T	35.03	33.77
44	T	19.81	26.94
45	D	54.80	49.63
46	T	46.62	46.35

Spectral Data

Additional Data

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Type: 13C

Atom	Mult.(coupling const.)	Prediction Shift	Prediction 0 acd_lotusv7
1	Q	13.91	18.08
2	S	41.52	39.58
3	T	39.81	42.18
4	T	19.00	18.24
5	T	38.50	38.77
6	S	44.70	45.78
7	Q	28.40	28.69
8	S	176.90	177.27
11	D	95.80	96.0
13	D	78.19	79.27
14	T	62.90	62.32
16	D	71.06	71.2
18	D	80.30	79.2
20	D	74.00	74.25
22	D	57.41	52.34
23	T	19.82	20.68
24	T	35.15	40.06
25	S	46.10	48.12
26	D	136.80	163.17
27	S	140.71	151.21
28	D	192.70	189.32
30	S	84.92	85.47
32	D	97.00	98.86
34	D	78.10	77.71
35	T	62.64	62.45
37	D	71.23	71.43
39	D	76.90	77.67
41	D	74.85	74.61
43	T	33.77	35.03
44	T	26.94	19.81
45	D	49.63	54.8
46	T	46.35	46.62