Cannabis Compound Database: 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) (CDB000853)

Spectrum Details

CDB ID:	CDB000853
Compound name:	CDP-DG(16:0/18:0)
Spectrum type:	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)

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MMDBc0029852

Multiplets	❮ ❯ 8.11 6.57 5.75 5.13 4.41 4.35 4.32 4.29 4.25 4.16 2.32 2.31 1.56 1.44 1.27 1.27 1.27 1.27 1.27 1.26 1.26 1.26 1.26 1.26 1.26 1.25 1.25 1.25 0.88 0.88

Assignment Table
Row No.	Cluster Midpoint	No. Peaks	Coupling Type	No. H's	Atom No.		Peak Centers (ppm)
1	8.11	2	d	1	144	+	8.108.12
2	6.57	2	d	1	145	+	6.566.58
3	5.75	2	d	1	143	+	5.745.76
4	5.13	10	m	1	102	+	5.105.115.115.125.135.145.145.155.155.16
5	4.41	4	dd	1	150	+	4.394.414.414.43
6	4.35	2	d	2	103 104	+	4.344.36
7	4.32	16	dtd	1	142	+	4.294.304.304.304.314.314.314.314.324.324.324.334.344.354.364.37
8	4.29	5	dd	1	148	+	4.274.284.294.304.31
9	4.25	9	dd	2	140 141	+	4.254.234.234.254.254.254.254.264.26
10	4.16	4	dd	2	136 137	+	4.144.164.164.18
11	2.32	3	t	2	105 106	+	2.302.322.34
12	2.31	3	t	2	100 101	+	2.292.312.33
13	1.56	9	tt	2	107 108	+	1.511.531.591.601.541.551.571.591.60
14	1.44	18	tt	2	98 99	+	1.401.411.431.451.411.421.421.431.431.431.441.441.461.461.481.481.491.49
15	1.27	53	m	2	131 132	+	1.241.251.251.261.261.261.261.271.271.271.271.281.281.291.291.291.301.311.321.321.211.221.231.231.241.241.241.251.251.251.251.261.261.271.271.271.271.281.281.281.281.281.291.291.291.291.301.301.301.311.321.321.33
16	1.27	53	m	2	70 71	+	1.241.251.251.261.261.261.261.271.271.271.271.281.281.291.291.291.301.311.321.321.211.221.231.231.241.241.241.251.251.251.251.261.261.271.271.271.271.281.281.281.281.281.291.291.291.291.301.301.301.311.321.321.33
17	1.27	52	tt	2	72 73	+	1.221.221.231.231.241.241.251.251.251.251.261.271.271.271.281.281.291.291.291.291.301.301.301.311.311.221.231.241.241.241.241.241.251.251.251.261.261.261.271.271.271.281.281.281.291.291.291.301.301.311.321.32
18	1.27	54	tt	2	129 130	+	1.221.221.231.231.241.241.241.251.251.251.261.261.261.271.271.281.281.291.291.291.291.301.301.311.311.221.231.231.241.241.241.241.241.251.251.251.261.261.261.261.271.271.271.281.281.281.291.291.291.301.301.311.321.32
19	1.27	98	m	4	94 95 96 97	+	1.231.241.241.251.251.261.261.271.271.281.281.281.281.281.291.301.301.301.311.311.321.231.231.241.241.241.241.251.251.251.261.261.281.281.281.281.291.291.301.301.301.311.311.321.321.201.201.201.211.231.231.241.241.241.251.251.251.261.261.281.281.281.291.291.311.201.211.221.221.231.231.231.241.241.241.241.251.251.251.261.261.261.261.261.271.271.281.281.291.291.291.291.301.301.301.311.311.32
20	1.26	61	m	2	74 75	+	1.211.221.221.231.231.241.241.251.251.251.251.261.261.261.261.271.271.271.271.271.281.281.281.291.291.301.301.301.311.311.321.211.211.221.231.231.231.231.241.241.241.251.251.251.261.261.261.271.271.271.281.281.281.291.291.291.301.301.311.311.31
21	1.26	87	m	4	109 110 111 112	+	1.201.201.201.211.231.231.231.241.241.241.251.251.251.251.261.261.261.271.281.291.291.301.201.211.221.221.231.231.241.241.241.241.241.251.251.251.261.261.261.261.281.281.291.291.291.291.301.301.311.311.321.231.241.251.251.261.261.271.271.271.281.281.291.301.311.231.231.241.241.241.251.251.261.261.261.271.281.281.281.281.291.291.301.301.311.311.32
22	1.26	50	m	2	76 77	+	1.211.231.231.241.241.241.251.251.261.261.271.281.281.281.281.281.281.291.291.301.301.311.201.211.211.221.221.231.231.241.241.241.251.251.251.261.261.261.271.271.271.281.281.281.281.291.291.291.301.30
23	1.26	63	m	2	127 128	+	1.201.211.211.211.221.221.231.231.241.251.251.251.261.261.271.271.271.271.271.281.281.281.291.291.301.301.301.311.311.321.201.211.211.221.221.221.231.231.231.241.241.241.251.251.251.251.261.261.261.271.271.271.281.281.281.291.291.291.301.301.311.311.31
24	1.26	57	m	2	125 126	+	1.201.211.211.221.221.231.231.241.241.251.251.251.261.261.261.271.271.271.281.281.281.281.281.291.291.301.301.311.201.211.211.221.221.231.231.231.241.241.241.251.251.251.251.261.261.261.271.271.271.281.281.281.281.291.291.291.30
25	1.26	219	m	14	78 79 80 81 82 83 84 85 86 87 88 89 90 91	+	1.191.201.201.211.211.211.211.221.221.231.231.241.241.251.271.271.281.291.301.301.201.211.211.221.221.221.231.231.231.241.241.241.241.241.251.271.271.281.281.281.291.291.291.301.311.221.231.241.241.241.241.251.251.251.261.271.281.281.291.301.231.231.241.241.251.251.251.251.251.271.281.291.301.301.241.271.221.221.241.251.261.271.281.301.221.241.241.251.271.271.291.251.251.261.261.271.281.281.221.241.241.241.251.251.261.271.281.281.281.221.241.241.251.251.251.261.261.271.281.291.291.301.221.221.241.241.241.251.251.251.261.271.271.271.271.281.281.281.291.291.301.301.301.301.311.211.221.221.231.231.231.241.241.241.241.251.251.251.251.271.271.271.271.281.281.281.291.291.301.301.311.211.211.221.221.231.231.231.241.241.251.251.261.271.271.271.271.281.301.211.221.221.221.221.231.231.231.231.241.241.251.251.251.261.261.261.261.271.271.281.281.281.281.291.291.301.301.311.31
26	1.25	194	m	10	115 116 117 118 119 120 121 122 123 124	+	1.211.211.221.221.231.241.251.261.261.311.211.211.221.231.231.231.241.241.251.251.251.251.261.261.271.271.271.291.291.291.291.301.311.311.221.241.241.261.281.281.301.301.301.221.221.231.251.251.271.271.281.281.301.221.231.241.241.251.271.271.281.281.221.221.221.241.241.241.241.251.251.251.261.261.271.271.271.281.281.281.291.301.301.231.231.241.241.241.241.241.251.251.251.261.271.271.281.281.281.281.291.291.291.301.301.311.211.221.231.231.241.241.241.251.251.251.261.271.271.271.271.281.281.281.281.291.291.291.301.311.181.191.191.201.211.211.211.211.221.221.221.231.231.231.231.241.241.241.251.251.251.251.261.271.271.271.271.281.281.301.201.211.211.221.221.221.231.231.231.231.241.241.241.241.241.251.251.251.251.261.271.271.271.271.271.271.281.281.281.291.291.301.301.31
27	1.25	63	m	2	92 93	+	1.201.211.211.211.221.241.241.241.251.251.251.261.261.261.261.271.271.271.271.281.281.281.291.291.301.301.301.191.191.191.201.201.201.211.211.211.221.221.231.231.231.241.241.241.251.251.251.261.261.261.271.271.271.281.281.281.291.291.291.291.291.301.30
28	1.25	63	m	2	113 114	+	1.201.211.211.211.221.231.241.241.241.251.261.261.261.261.271.271.271.271.281.281.281.281.291.291.301.301.301.191.191.191.201.201.201.211.211.211.221.221.231.231.231.241.241.241.251.251.251.261.261.261.271.271.271.281.281.281.291.291.291.291.291.301.30
29	0.88	39	t	3	133 134 135	+	0.840.860.870.880.890.910.930.830.850.860.860.870.870.880.880.880.890.900.900.920.930.830.840.850.860.860.870.880.880.880.890.890.890.890.900.910.920.920.93
30	0.88	39	t	3	67 68 69	+	0.840.860.870.880.890.910.930.830.850.860.860.870.870.880.880.880.890.900.900.920.930.830.840.850.860.860.870.880.880.880.890.890.890.890.900.910.920.920.93

Experimental Conditions

Solvent:	H₂O
Nucleus:	¹H
Frequency:	400 MHz

Documentation

Document Description	Download	File Size
Peak List (TXT)	Download file	97.9 KB
Peak Assignments (TXT)	Download file	2.4 KB
Spectra Image with Peak Assignments	Not Available	Not Available
Raw Spectrum Image	Not Available	Not Available
nmrML File (NMRML)	Download file	679 KB
JCAMP-DX File (JDX)	Download file	273 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, 400 MHz, H₂O, predicted) (CDB000853)

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