nmrshiftdb2 - open nmr database on the web

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Spectral Data

Additional Data

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Type: 13C

Atom	Mult.(coupling const.)	Prediction Shift	Prediction 0 hose_lotusv7
1	Q	11.70	11.9
2	T	26.75	26.84
3	D	41.48	41.0
4	Q	16.86	16.24
5	S	175.77	175.88
8	D	75.25	71.57
9	D	67.54	68.7
11	S	170.19	170.2
12	Q	21.60	21.6
14	T	42.15	41.9
15	S	70.68	69.7
16	Q	24.66	25.1
18	S	91.67	91.1
20	S	84.32	84.6
21	Q	28.11	27.55
22	Q	28.56	27.55
23	D	48.91	49.1
24	T	35.24	34.7
25	D	69.25	68.9
27	S	165.20	165.2
29	S	128.99	129.55
30	D	130.10	129.79
31	D	128.40	128.71
32	D	133.54	133.38
33	D	128.40	128.71
34	D	130.10	129.79
35	S	55.02	55.0
36	T	65.00	65.5
38	S	170.50	170.5
39	Q	21.30	21.3
41	D	77.47	78.1
43	S	169.60	169.6
44	Q	21.10	21.1

Spectral Data

Additional Data

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Type: 13C

Atom	Mult.(coupling const.)	Prediction Shift	Prediction 0 acd_lotusv7
1	Q	11.90	11.7
2	T	26.84	26.75
3	D	41.00	41.48
4	Q	16.24	16.86
5	S	175.88	175.77
8	D	71.57	75.25
9	D	68.70	67.54
11	S	170.20	170.19
12	Q	21.60	21.6
14	T	41.90	42.15
15	S	69.70	70.68
16	Q	25.10	24.66
18	S	91.10	91.67
20	S	84.60	84.32
21	Q	27.55	28.11
22	Q	27.55	28.56
23	D	49.10	48.91
24	T	34.70	35.24
25	D	68.90	69.25
27	S	165.20	165.2
29	S	129.55	128.99
30	D	129.79	130.1
31	D	128.71	128.4
32	D	133.38	133.54
33	D	128.71	128.4
34	D	129.79	130.1
35	S	55.00	55.02
36	T	65.50	65.0
38	S	170.50	170.5
39	Q	21.30	21.3
41	D	78.10	77.47
43	S	169.60	169.6
44	Q	21.10	21.1