nmrshiftdb2 - open nmr database on the web

Details

Spectral Data

Additional Data

Download

Type: 13C

Atom	Mult.(coupling const.)	Prediction Shift	Prediction 0 hose_lotusv7
1	Q	18.20	18.52
2	D	70.25	70.9
4	D	102.85	102.9
6	D	78.40	71.04
7	D	77.20	77.2
8	T	61.35	61.1
11	D	104.95	103.83
13	T	69.35	67.33
14	D	78.15	76.42
16	D	95.85	95.48
18	S	176.73	174.5
20	S	49.20	44.5
21	T	32.20	30.7
22	T	36.00	34.5
23	S	30.80	30.0
24	Q	29.92	28.35
25	Q	30.56	28.35
26	T	47.15	45.8
27	D	41.30	39.8
28	S	141.78	142.5
29	D	122.90	121.8
30	T	26.78	23.99
31	D	49.06	48.5
32	S	37.10	37.9
33	Q	14.55	15.68
34	T	37.50	39.02
35	T	26.60	26.8
36	D	88.77	88.7
38	D	105.75	105.59
40	T	64.65	66.62
41	D	68.18	67.4
43	D	72.50	78.11
45	D	82.90	84.13
47	D	105.74	104.43
49	D	78.15	78.77
50	T	62.55	61.1
52	D	71.45	71.7
54	D	78.15	78.37
56	D	76.20	77.1
58	S	39.66	39.74

Atom	Mult.(coupling const.)	Prediction Shift	Prediction 0 hose_lotusv7
59	Q	24.01	21.7
60	Q	22.33	21.7
61	D	56.20	55.81
62	T	18.22	19.2
63	T	36.50	32.89
64	S	40.10	40.7
65	Q	17.60	18.0
66	S	42.10	42.5
67	Q	25.70	27.1
68	T	40.01	34.4
69	D	71.14	72.0
71	D	74.00	67.94
73	D	78.75	77.52
75	D	70.93	70.75
77	D	75.40	72.6
79	D	76.55	70.81
81	D	72.60	72.5
83	D	72.43	72.7
85	D	73.68	74.03

Spectral Data

Additional Data

Download

Type: 13C

Atom	Mult.(coupling const.)	Prediction Shift	Prediction 0 acd_lotusv7
1	Q	18.52	18.2
2	D	70.90	70.25
4	D	102.90	102.85
6	D	71.04	78.4
7	D	77.20	77.2
8	T	61.10	61.35
11	D	103.83	104.95
13	T	67.33	69.35
14	D	76.42	78.15
16	D	95.48	95.85
18	S	174.50	176.73
20	S	44.50	49.2
21	T	30.70	32.2
22	T	34.50	36.0
23	S	30.00	30.8
24	Q	28.35	29.92
25	Q	28.35	30.56
26	T	45.80	47.15
27	D	39.80	41.3
28	S	142.50	141.78
29	D	121.80	122.9
30	T	23.99	26.78
31	D	48.50	49.06
32	S	37.90	37.1
33	Q	15.68	14.55
34	T	39.02	37.5
35	T	26.80	26.6
36	D	88.70	88.77
38	D	105.59	105.75
40	T	66.62	64.65
41	D	67.40	68.18
43	D	78.11	72.5
45	D	84.13	82.9
47	D	104.43	105.74
49	D	78.77	78.15
50	T	61.10	62.55
52	D	71.70	71.45
54	D	78.37	78.15
56	D	77.10	76.2
58	S	39.74	39.66

Atom	Mult.(coupling const.)	Prediction Shift	Prediction 0 acd_lotusv7
59	Q	21.70	24.01
60	Q	21.70	22.33
61	D	55.81	56.2
62	T	19.20	18.22
63	T	32.89	36.5
64	S	40.70	40.1
65	Q	18.00	17.6
66	S	42.50	42.1
67	Q	27.10	25.7
68	T	34.40	40.01
69	D	72.00	71.14
71	D	67.94	74.0
73	D	77.52	78.75
75	D	70.75	70.93
77	D	72.60	75.4
79	D	70.81	76.55
81	D	72.50	72.6
83	D	72.70	72.43
85	D	74.03	73.68