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	29.57	29.36
2	S	30.90	30.23
3	Q	30.21	29.36
4	T	34.27	36.11
5	T	20.60	21.5
6	D	47.10	48.16
7	S	213.91	208.64
9	T	50.40	49.3
10	S	42.67	42.21
11	Q	22.60	23.8
12	S	141.68	149.11
13	D	118.13	123.25
14	T	26.07	23.77
15	D	47.31	47.78
16	S	36.20	36.3
17	Q	16.61	15.5
18	T	36.86	38.2
19	T	25.05	25.0
20	D	84.12	81.7
22	D	103.21	103.42
24	D	76.88	74.7
25	S	171.86	171.0
28	D	71.04	70.4
30	D	84.75	73.13
32	D	104.26	107.6
34	T	66.82	66.85
35	D	70.34	69.5
37	D	77.38	78.7
39	D	74.52	74.57
41	D	78.30	81.0
43	D	103.64	105.23
45	D	75.86	78.77
46	T	61.10	61.1
48	D	69.87	70.6
50	D	74.99	78.37
52	D	73.27	75.59
54	S	53.94	55.6
55	Q	10.78	10.3
56	D	209.83	206.9
58	D	47.89	47.6

Atom	Mult.(coupling const.)	Prediction Shift	Prediction 0 hose_lotusv7
59	T	20.86	20.5
60	T	35.30	33.45
61	S	39.18	40.32
62	Q	16.80	17.06
63	D	45.00	38.82
64	T	46.40	41.9

Spectral Data

Additional Data

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Type: 13C

Atom	Mult.(coupling const.)	Prediction Shift	Prediction 0 acd_lotusv7
1	Q	29.36	29.57
2	S	30.23	30.9
3	Q	29.36	30.21
4	T	36.11	34.27
5	T	21.50	20.6
6	D	48.16	47.1
7	S	208.64	213.91
9	T	49.30	50.4
10	S	42.21	42.67
11	Q	23.80	22.6
12	S	149.11	141.68
13	D	123.25	118.13
14	T	23.77	26.07
15	D	47.78	47.31
16	S	36.30	36.2
17	Q	15.50	16.61
18	T	38.20	36.86
19	T	25.00	25.05
20	D	81.70	84.12
22	D	103.42	103.21
24	D	74.70	76.88
25	S	171.00	171.86
28	D	70.40	71.04
30	D	73.13	84.75
32	D	107.60	104.26
34	T	66.85	66.82
35	D	69.50	70.34
37	D	78.70	77.38
39	D	74.57	74.52
41	D	81.00	78.3
43	D	105.23	103.64
45	D	78.77	75.86
46	T	61.10	61.1
48	D	70.60	69.87
50	D	78.37	74.99
52	D	75.59	73.27
54	S	55.60	53.94
55	Q	10.30	10.78
56	D	206.90	209.83
58	D	47.60	47.89

Atom	Mult.(coupling const.)	Prediction Shift	Prediction 0 acd_lotusv7
59	T	20.50	20.86
60	T	33.45	35.3
61	S	40.32	39.18
62	Q	17.06	16.8
63	D	38.82	45.0
64	T	41.90	46.4