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	22.20	22.2
2	D	25.00	24.97
3	Q	22.20	22.2
4	T	42.60	37.0
5	D	52.30	58.25
6	S	164.80	164.2
9	T	45.50	45.8
10	T	21.40	21.7
11	T	25.90	25.9
12	D	63.40	63.9
13	S	102.80	102.8
16	S	89.10	104.83
18	S	175.80	174.3
20	D	42.37	42.5
21	D	120.00	118.3
22	S	136.95	136.15
23	S	127.80	127.6
24	D	111.47	111.67
25	D	123.83	122.37
26	D	108.70	111.23
27	S	135.42	137.26
29	S	105.36	120.41
31	S	104.93	112.2
32	S	128.15	126.03
33	T	26.86	30.35
34	D	62.58	62.77
36	Q	42.41	43.65
37	T	53.30	55.1
38	D	33.80	36.43
39	Q	16.40	17.07
40	Q	15.30	17.07
41	S	164.80	163.2

Spectral Data

Additional Data

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Type: 13C

Atom	Mult.(coupling const.)	Prediction Shift	Prediction 0 acd_lotusv7
1	Q	22.20	22.2
2	D	24.97	25.0
3	Q	22.20	22.2
4	T	37.00	42.6
5	D	58.25	52.3
6	S	164.20	164.8
9	T	45.80	45.5
10	T	21.70	21.4
11	T	25.90	25.9
12	D	63.90	63.4
13	S	102.80	102.8
16	S	104.83	89.1
18	S	174.30	175.8
20	D	42.50	42.37
21	D	118.30	120.0
22	S	136.15	136.95
23	S	127.60	127.8
24	D	111.67	111.47
25	D	122.37	123.83
26	D	111.23	108.7
27	S	137.26	135.42
29	S	120.41	105.36
31	S	112.20	104.93
32	S	126.03	128.15
33	T	30.35	26.86
34	D	62.77	62.58
36	Q	43.65	42.41
37	T	55.10	53.3
38	D	36.43	33.8
39	Q	17.07	16.4
40	Q	17.07	15.3
41	S	163.20	164.8