nmrshiftdb2 - open nmr database on the web

Details

This molecule with other stereoconfigurations:

Spectral Data

Additional Data

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Type: 13C

Atom	Mult.(coupling const.)	Prediction Shift	Prediction 0 hose_lotusv7
1	Q	18.38	16.93
2	D	49.28	49.37
4	S	159.00	154.0
7	D	57.98	51.7
8	T	28.60	28.15
9	S	110.70	110.53
10	D	124.50	123.7
12	S	137.09	136.65
13	D	111.31	111.22
14	D	120.12	120.24
15	D	120.43	120.42
16	D	119.54	118.83
17	S	127.60	127.88
18	S	180.00	175.1
21	S	171.85	173.06
24	D	54.51	57.38
25	S	169.29	171.83
28	D	99.10	112.5
29	S	146.06	156.95
30	T	34.65	39.29
31	D	73.17	78.86
33	D	96.26	89.67
35	D	142.64	142.6
36	D	104.21	103.75
37	S	167.10	165.85
40	S	151.93	152.7
43	D	53.14	55.57
44	Q	15.82	13.17
46	Q	32.63	31.52
47	S	177.70	171.45
49	D	55.50	57.48
50	T	33.60	30.35
51	S	137.10	128.5
52	D	120.90	120.2
53	D	130.10	126.7
54	D	116.90	111.9
55	S	159.80	152.45
57	S	125.30	123.14
58	T	44.80	47.2

Spectral Data

Additional Data

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Type: 13C

Atom	Mult.(coupling const.)	Prediction Shift	Prediction 0 acd_lotusv7
1	Q	16.93	18.38
2	D	49.37	49.28
4	S	154.00	159.0
7	D	51.70	57.98
8	T	28.15	28.6
9	S	110.53	110.7
10	D	123.70	124.5
12	S	136.65	137.09
13	D	111.22	111.31
14	D	120.24	120.12
15	D	120.42	120.43
16	D	118.83	119.54
17	S	127.88	127.6
18	S	175.10	180.0
21	S	173.06	171.85
24	D	57.38	54.51
25	S	171.83	169.29
28	D	112.50	99.1
29	S	156.95	146.06
30	T	39.29	34.65
31	D	78.86	73.17
33	D	89.67	96.26
35	D	142.60	142.64
36	D	103.75	104.21
37	S	165.85	167.1
40	S	152.70	151.93
43	D	55.57	53.14
44	Q	13.17	15.82
46	Q	31.52	32.63
47	S	171.45	177.7
49	D	57.48	55.5
50	T	30.35	33.6
51	S	128.50	137.1
52	D	120.20	120.9
53	D	126.70	130.1
54	D	111.90	116.9
55	S	152.45	159.8
57	S	123.14	125.3
58	T	47.20	44.8