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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13C Spectrum	70164026 Rating: 10