nmrshiftdb2 - open nmr database on the web

Details

This molecule without stereoconfiguration:

Spectral Data

Additional Data

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Type: 13C

Atom	Mult.(coupling const.)	Prediction Shift	Prediction 0 hose_lotusv7
1	Q	23.21	23.07
2	D	28.68	28.72
3	Q	21.55	23.07
4	D	46.76	38.55
5	T	19.90	26.94
6	T	34.95	30.78
7	D	70.82	71.03
9	D	41.74	55.55
10	D	51.64	59.16
11	S	42.69	44.27
12	Q	15.05	17.15
13	T	32.46	35.15
14	T	28.38	35.15
15	S	42.64	40.51
16	T	38.40	39.2
18	D	68.87	61.5
20	T	30.26	31.5
21	T	44.30	33.77
22	S	72.73	73.29
23	Q	30.53	26.02

Spectral Data

Additional Data

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Type: 13C

Atom	Mult.(coupling const.)	Prediction Shift	Prediction 0 acd_lotusv7
1	Q	23.07	23.21
2	D	28.72	28.68
3	Q	23.07	21.55
4	D	38.55	46.76
5	T	26.94	19.9
6	T	30.78	34.95
7	D	71.03	70.82
9	D	55.55	41.74
10	D	59.16	51.64
11	S	44.27	42.69
12	Q	17.15	15.05
13	T	35.15	32.46
14	T	35.15	28.38
15	S	40.51	42.64
16	T	39.20	38.4
18	D	61.50	68.87
20	T	31.50	30.26
21	T	33.77	44.3
22	S	73.29	72.73
23	Q	26.02	30.53