nmrshiftdb2 - open nmr database on the web

Details

This molecule with other stereoconfigurations:

acd_lotusv7/

hose_lotusv7/

Spectral Data

Additional Data

Download

Type: 13C

Atom	Mult.(coupling const.)	Prediction Shift	Prediction 0 acd_lotusv7	Prediction 1 hose_lotusv7	Prediction 2 hose_lotusv7
1	Q	56.00	56.0	56.57	56.57
3	S	162.40	162.4	160.56	160.56
4	D	116.00	116.0	114.91	114.91
5	D	131.20	131.2	130.41	130.41
6	S	130.20	130.2	127.73	127.73
7	D	146.60	146.6	145.54	145.54
8	D	119.30	119.3	114.2	114.2
9	S	168.10	168.1	166.33	166.33
12	T	62.90	62.9	63.34	63.34
13	D	75.68	75.47	75.09	75.09
15	D	99.60	99.6	99.83	99.83
17	D	93.25	93.25	102.98	102.98
19	D	141.85	141.85	150.95	150.95
20	D	108.60	108.6	106.2	106.2
21	S	72.90	72.9	82.54	82.54
23	D	78.50	78.5	70.59	70.59
25	T	47.20	47.2	42.38	42.38
26	S	77.21	77.21	80.59	80.59
27	Q	25.20	25.2	24.97	24.97
29	D	59.70	59.7	45.98	45.98
30	D	74.60	74.6	74.55	74.55
32	D	78.10	78.1	78.1	78.1
34	D	71.80	71.8	70.94	70.94
36	D	131.20	131.2	130.41	130.41
37	D	116.00	116.0	114.91	114.91

Spectral Data

Additional Data

Download

Type: 13C

Atom	Mult.(coupling const.)	Prediction Shift	Prediction 0 acd_lotusv7	Prediction 1 hose_lotusv7	Prediction 2 hose_lotusv7
1	Q	56.00	56.0	56.57	56.57
3	S	162.40	162.4	160.56	160.56
4	D	116.00	116.0	114.91	114.91
5	D	131.20	131.2	130.41	130.41
6	S	130.20	130.2	127.73	127.73
7	D	146.60	146.6	145.54	145.54
8	D	119.30	119.3	114.2	114.2
9	S	168.10	168.1	166.33	166.33
12	T	62.90	62.9	63.34	63.34
13	D	75.47	75.68	75.09	75.09
15	D	99.60	99.6	99.83	99.83
17	D	93.25	93.25	102.98	102.98
19	D	141.85	141.85	150.95	150.95
20	D	108.60	108.6	106.2	106.2
21	S	72.90	72.9	82.54	82.54
23	D	78.50	78.5	70.59	70.59
25	T	47.20	47.2	42.38	42.38
26	S	77.21	77.21	80.59	80.59
27	Q	25.20	25.2	24.97	24.97
29	D	59.70	59.7	45.98	45.98
30	D	74.60	74.6	74.55	74.55
32	D	78.10	78.1	78.1	78.1
34	D	71.80	71.8	70.94	70.94
36	D	131.20	131.2	130.41	130.41
37	D	116.00	116.0	114.91	114.91