Human Metabolome Database: 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) (HMDB0008953)

Spectrum Details

HMDB ID:	HMDB0008953
Compound name:	PE(16:1(9Z)/14:0)
Spectrum type:	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)

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MMDBc0029883

Multiplets	❮ ❯ 5.34 5.13 4.35 4.16 4.09 3.27 2.32 2.31 2.02 2.01 1.57 1.46 1.34 1.32 1.31 1.30 1.29 1.28 1.27 1.27 1.27 1.27 1.26 1.26 1.26 1.26 1.24 0.88 0.88

Assignment Table
Row No.	Cluster Midpoint	No. Peaks	Coupling Type	No. H's	Atom No.		Peak Centers (ppm)
1	5.34	15	dt	2	59 60	+	5.325.325.335.335.335.345.345.345.345.345.355.355.355.365.36
2	5.13	10	m	1	77	+	5.115.125.125.135.135.135.135.145.145.15
3	4.35	2	d	2	75 76	+	4.354.35
4	4.16	4	dd	2	78 79	+	4.154.164.164.17
5	4.09	6	dt	2	81 82	+	4.084.094.094.094.094.10
6	3.27	6	td	2	83 84	+	3.263.263.273.273.283.28
7	2.32	3	t	2	73 74	+	2.312.322.33
8	2.31	3	t	2	87 88	+	2.302.312.32
9	2.02	24	dt	2	61 62	+	2.002.002.002.002.012.012.012.012.012.022.022.022.022.022.022.032.032.032.032.032.042.042.042.05
10	2.01	7	dt	2	57 58	+	2.002.002.012.012.022.022.03
11	1.57	5	tt	2	71 72	+	1.551.561.571.581.59
12	1.46	5	tt	2	89 90	+	1.441.451.461.471.48
13	1.34	40	m	2	53 54	+	1.321.321.321.331.331.341.341.341.341.341.351.351.361.361.361.371.321.321.321.331.331.331.341.341.341.341.341.341.341.341.351.351.351.351.361.361.361.361.371.37
14	1.32	32	tt	2	55 56	+	1.301.311.321.331.331.331.331.351.361.291.301.301.311.311.311.311.311.321.321.321.321.331.331.331.331.331.331.341.341.351.351.35
15	1.31	49	tt	2	63 64	+	1.281.291.291.291.291.301.301.301.311.311.311.311.311.311.311.321.321.331.331.281.281.291.291.291.301.301.301.301.301.301.311.311.311.311.311.311.311.311.321.321.321.321.321.331.331.331.331.331.34
16	1.30	54	m	2	65 66	+	1.261.261.271.281.281.281.281.291.291.301.301.301.301.311.311.311.311.321.321.331.271.271.281.281.281.281.281.281.291.291.291.291.291.301.301.301.301.301.301.301.301.301.311.311.311.311.311.311.311.321.321.321.321.33
17	1.29	51	tt	2	51 52	+	1.261.261.271.271.271.271.271.281.281.281.281.281.291.291.301.311.311.311.261.261.261.271.271.271.271.271.281.281.281.281.281.281.281.281.291.291.291.291.291.291.291.301.301.301.301.301.311.311.311.311.32
18	1.28	52	m	2	49 50	+	1.251.261.261.271.271.271.271.271.281.281.281.281.281.281.291.291.291.291.241.251.251.251.261.261.261.261.261.261.261.271.271.271.271.271.281.281.281.281.281.281.291.291.291.291.291.291.291.291.301.301.301.30
19	1.27	51	m	2	109 110	+	1.241.251.251.261.261.261.261.261.271.271.271.281.281.281.281.281.281.281.291.291.301.241.251.251.251.251.261.261.261.261.261.261.261.271.271.271.271.271.271.281.281.281.281.281.281.281.291.291.291.291.29
20	1.27	59	tt	2	107 108	+	1.241.251.251.251.251.251.251.251.261.261.261.261.261.261.261.271.271.271.271.281.281.281.281.281.281.281.291.291.291.291.251.251.251.251.251.261.261.261.261.261.261.261.261.271.271.271.271.271.271.281.281.281.281.281.291.291.291.291.29
21	1.27	43	m	2	69 70	+	1.231.241.241.251.251.251.261.261.261.271.271.281.281.301.301.241.241.241.241.251.261.261.261.261.261.261.261.271.271.271.271.271.271.281.281.281.281.281.291.291.291.301.30
22	1.27	75	m	4	91 92 93 94	+	1.241.251.251.251.251.251.261.261.261.261.271.271.271.271.281.281.291.291.291.231.231.241.251.251.251.251.251.251.261.261.261.261.261.271.271.271.271.271.271.271.281.281.281.281.291.291.291.291.251.261.261.271.271.281.281.251.251.251.251.251.261.261.271.271.271.271.271.281.281.281.281.291.291.291.29
23	1.26	48	m	2	67 68	+	1.231.241.241.241.251.251.251.251.261.261.261.261.261.271.271.271.281.281.291.291.311.231.231.231.241.241.241.251.251.251.251.251.251.261.261.261.261.261.261.271.271.281.281.281.281.291.291.29
24	1.26	83	m	2	105 106	+	1.221.231.231.231.231.241.241.241.251.251.251.251.251.251.251.261.261.261.261.261.271.271.271.271.271.271.281.281.281.281.281.281.291.291.301.231.231.231.231.241.241.241.241.241.241.251.251.251.251.251.251.251.251.251.261.261.261.261.261.261.261.261.261.261.261.271.271.271.271.271.271.271.271.271.281.281.281.281.281.291.291.291.29
25	1.26	152	m	6	97 98 99 100 101 102	+	1.231.231.241.241.241.241.241.241.241.251.251.251.251.261.261.261.261.261.271.271.271.281.281.281.231.241.241.241.251.251.251.251.251.261.261.261.261.261.271.271.271.271.271.271.281.281.281.281.241.241.241.241.241.251.251.251.251.251.251.261.261.261.271.271.271.271.271.281.281.241.241.241.241.251.251.251.251.251.251.251.261.261.261.261.261.271.271.271.271.281.281.281.281.221.221.231.231.231.231.231.231.241.241.241.241.251.251.251.251.251.261.261.261.271.271.271.271.271.271.281.231.241.241.241.241.241.241.241.241.251.251.251.251.251.261.261.261.261.261.261.261.271.271.271.271.271.271.271.281.281.281.28
26	1.26	54	m	2	103 104	+	1.231.241.241.241.251.251.251.251.261.261.261.261.271.271.271.271.271.281.281.281.281.291.231.231.231.231.231.241.241.241.241.241.241.251.251.251.251.251.251.251.251.261.261.261.261.261.261.271.271.271.271.281.281.28
27	1.24	54	m	2	95 96	+	1.211.221.221.231.241.251.251.251.251.251.251.261.261.261.261.261.261.271.271.271.211.211.221.221.221.221.221.231.231.231.231.231.231.231.241.241.241.241.241.241.251.251.251.251.251.251.261.261.261.261.261.261.271.28
28	0.88	41	t	3	111 112 113	+	0.860.870.880.890.900.900.860.860.860.870.870.870.880.880.880.880.880.890.900.900.900.900.860.860.860.870.870.870.880.880.880.880.880.880.880.890.890.890.900.900.90
29	0.88	35	t	3	46 47 48	+	0.870.880.880.880.880.900.870.870.880.890.890.850.860.860.860.860.870.870.870.870.870.880.880.880.880.880.880.880.890.890.890.900.900.900.90

Experimental Conditions

Solvent:	H₂O
Nucleus:	¹H
Frequency:	800 MHz

Documentation

Document Description	Download	File Size
Peak List (TXT)	Download file	73.9 KB
Peak Assignments (TXT)	Download file	1.91 KB
Spectra Image with Peak Assignments	Not Available	Not Available
Raw Spectrum Image	Not Available	Not Available
nmrML File (NMRML)	Download file	652 KB
JCAMP-DX File (JDX)	Download file	245 KB
Raw Free Induction Decay file for spectral processing	Not Available	Not Available
Validation Report	Not Available	Not Available

References

Not Available

¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted) (HMDB0008953)

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