NMRShiftDB - open nmr database on the web

Details

Spectral Data

Additional Data

Type: 13C

Atom No.	Mult.(coupling const.)	Meas. Shift	Intensity	expt-0
1	S	140.4	0.616352	141.99
2	D	116.3	0.877358	115.96
3	D	127.4	0.902516	128.33
4	D	124.2	0.839623	123.98
5	D	122.2	0.867925	122.03
6	S	132.7	0.666667	132.39
7	S	52.0	0.691824	51.73
8	D	60.6	1.0	59.84
9	S	169.2	0.701258	169.01
10	T	42.9	0.877358	42.23
11	D	77.7	0.801887	77.35
12	D	48.3	0.842767	47.95
13	D	31.6	0.707547	31.35
14	T	26.8	0.685535	26.58
15	D	60.1	0.726415	60.0
16	T	42.5	0.603774	42.59
17	T	50.4	0.858491	50.11
18	T	52.7	0.795597	52.43
19	S	142.3	0.610063	140.0
20	D	127.4	0.902516	127.31
21	T	64.6	0.820755	64.36

Type: 13C

Atom No.	Mult.(coupling const.)	Meas. Shift	Intensity	expt-0 dkfz spektren database
1	S	141.99	0.24	140.4
2	D	115.96	0.9	116.3
3	D	128.33	0.87	127.4
4	D	123.98	0.89	124.2
5	D	122.03	0.89	122.2
6	S	132.39	0.27	132.7
7	S	51.73	0.4	52.0
8	D	59.84	0.96	60.6
9	S	169.01	0.26	169.2
10	T	42.23	0.92	42.9
11	D	77.35	0.94	77.7
12	D	47.95	1.0	48.3
13	D	31.35	0.87	31.6
14	T	26.58	0.83	26.8
15	D	60.00	0.96	60.1
16	T	42.59	1.0	42.5
17	T	50.11	0.99	50.4
18	T	52.43	0.99	52.7
19	S	140.00	0.4	142.3
20	D	127.31	0.92	127.4
21	T	64.36	0.98	64.6

Type: 1H

Atom No.	Meas. Shift	Intensity
2-H	8.02 (H 26)	0.34
3-H	7.19 (H 27)	0.21
4-H	7.03 (H 28)	0.22
5-H	7.10 (H 29)	0.22
8-H	3.79 (H 30)	0.41
10-H	3.09 (H 31), 2.60 (H 32)	1.0;0.18
11-H	4.22 (H 33)	0.2
12-H	1.22 (H 34)	0.17
13-H	3.09 (H 35)	1.0
14-H	2.28 (H 36), 1.41 (H 37)	0.18;0.4
15-H	3.91 (H 38)	0.55
16-H	1.84 (H 39), 1.83 (H 40)	0.37;0.35
17-H	3.16 (H 41), 2.81 (H 42)	0.07;0.27
18-H	3.64 (H 43), 2.70 (H 44)	0.45;0.41
20-H	5.86 (H 45)	0.6
21-H	4.08 (H 46), 4.01 (H 47)	0.26;0.13

Type: 15N

Atom No.	Mult.(coupling const.)	Meas. Shift
24	S	150.10
25	S	37.85