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	T	111.8	100.4
2	S	149.3	148.6
3	S	135.3	140.93
4	D	124.5	133.03
5	D	118.6	121.75
6	S	141.9	151.8
7	T	29.8	35.05
8	T	23.1	22.79
9	T	41.7	39.7
10	S	46.7	44.23
11	Q	12.4	11.94
12	D	57.7	49.53
13	T	24.5	24.7
14	T	28.6	26.26
15	D	57.3	49.5
16	D	37.3	36.42
17	Q	19.3	19.28
18	T	37.6	36.46
19	T	21.8	21.18
20	T	45.1	44.2
21	S	71.1	71.2
22	Q	29.2	29.2
23	Q	29.1	29.2
25	T	45.9	32.06
26	D	67.1	68.0
28	T	43.4	38.27
29	D	71.0	70.33

Spectral Data

Additional Data

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Type: 13C

Atom	Mult.(coupling const.)	Prediction Shift	Prediction 0 acd_lotusv7
1	T	100.40	111.8
2	S	148.60	149.3
3	S	140.93	135.3
4	D	133.03	124.5
5	D	121.75	118.6
6	S	151.80	141.9
7	T	35.05	29.8
8	T	22.79	23.1
9	T	39.70	41.7
10	S	44.23	46.7
11	Q	11.94	12.4
12	D	49.53	57.7
13	T	24.70	24.5
14	T	26.26	28.6
15	D	49.50	57.3
16	D	36.42	37.3
17	Q	19.28	19.3
18	T	36.46	37.6
19	T	21.18	21.8
20	T	44.20	45.1
21	S	71.20	71.1
22	Q	29.20	29.2
23	Q	29.20	29.1
25	T	32.06	45.9
26	D	68.00	67.1
28	T	38.27	43.4
29	D	70.33	71.0