NP-MRD: 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) (NP0086966)

Spectrum Details

NP-MRD ID:	NP0086966
Compound name:	Cholesta-4,6-dien-3-one
Spectrum type:	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)

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Multiplets	❮ ❯ 7.36 7.36 7.29 2.17 2.16 2.09 2.00 2.00 2.00 2.00 2.00 1.98 1.83 1.83 1.73 1.70 1.59 1.47 1.47 1.44 1.40 1.40 1.27 1.27 1.24 1.00 0.94 0.92 0.69 0.69

Peak Assignment Table
Row No.	Cluster Midpoint	No. Peaks	Coupling Type	No. H's	Atom No.		Peak Centers (ppm)
1	7.36	4	q	1	54	+	7.347.367.367.38
2	7.36	4	dd	1	53	+	7.347.367.367.38
3	7.29	1	s	1	55	+	7.29
4	2.17	8	ddd	1	52	+	2.152.162.172.172.172.172.192.19
5	2.16	8	ddd	1	56	+	2.142.152.162.162.172.172.182.19
6	2.09	8	ddd	1	57	+	2.072.072.082.082.092.102.102.11
7	2.00	26	m	1	48	+	1.971.971.981.981.991.991.991.991.992.002.002.002.002.012.012.012.012.012.022.022.022.022.032.032.042.04
8	2.00	19	dtd	1	41	+	1.961.961.971.981.991.992.002.002.002.002.002.012.012.022.022.032.032.042.05
9	2.00	14	m	1	65	+	1.971.971.991.991.991.992.002.002.012.012.012.012.032.03
10	2.00	8	ddd	1	59	+	1.981.991.991.992.002.002.012.02
11	2.00	18	m	1	64	+	1.961.971.971.981.981.981.991.992.002.002.002.002.012.022.022.032.042.04
12	1.98	24	m	1	47	+	1.941.941.951.961.961.961.961.961.961.971.971.981.981.981.981.991.991.991.992.002.002.012.012.01
13	1.83	19	ddd	1	51	+	1.801.801.801.811.821.821.821.821.831.831.841.841.841.841.841.851.861.861.86
14	1.83	16	ddd	1	63	+	1.801.811.821.821.821.821.821.831.831.841.841.841.841.841.851.86
15	1.73	18	m	1	32	+	1.691.701.711.711.711.721.721.721.731.731.731.731.741.741.751.751.761.77
16	1.70	8	ddd	1	58	+	1.681.691.691.701.701.701.711.71
17	1.59	10	m	1	39	+	1.561.571.581.581.591.591.601.601.611.62
18	1.47	19	m	1	49	+	1.441.441.451.451.461.461.461.461.471.471.471.471.481.481.491.491.491.501.51
19	1.47	21	m	1	50	+	1.431.441.441.441.451.451.451.461.461.471.471.471.471.481.481.491.491.501.501.501.51
20	1.44	24	m	1	42	+	1.411.411.421.421.421.421.421.421.431.431.431.431.441.441.441.451.451.451.451.451.461.461.461.47
21	1.40	15	dtd	1	40	+	1.381.381.391.391.391.401.401.401.401.401.411.411.421.421.42
22	1.40	12	td	2	36 37	+	1.381.391.401.391.391.401.401.401.401.411.411.41
23	1.27	29	ddd	2	66 67	+	1.231.251.251.251.261.271.271.271.271.281.291.291.311.231.241.251.251.261.271.271.271.271.271.281.291.291.291.301.31
24	1.27	10	m	1	38	+	1.241.251.261.261.271.271.281.281.291.30
25	1.24	23	ddd	1	46	+	1.211.211.211.221.221.221.231.231.231.241.241.241.251.251.251.251.261.261.261.271.271.271.28
26	1.00	4	q	3	43 44 45	+	0.981.001.001.02
27	0.94	2	d	3	33 34 35	+	0.940.94
28	0.92	2	d	3	29 30 31	+	0.920.92
29	0.69	3	s	3	60 61 62	+	0.690.690.69
30	0.69	3	s	3	68 69 70	+	0.690.690.69

Experimental Conditions

Solvent:	D₂O
Nucleus:	¹H
Frequency:	700 MHz

Documentation

Document Description	Download	File Size
Peak List (TXT)	Download file	21.4 KB
Peak Assignments (TXT)	Download file	1.28 KB
Spectra Image with Peak Assignments	Not Available	Not Available
Raw Spectrum Image	Not Available	Not Available
nmrML File (NMRML)	Download file	592 KB
JCAMP-DX File (JDX)	Download file	179 KB
Raw Free Induction Decay file for spectral processing	Not Available	Not Available
Validation Report	Not Available	Not Available

References

Not Available