NP-MRD: 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) (NP0023321)

Spectrum Details

NP-MRD ID:	NP0023321
Compound name:	Fumonisin C3
Spectrum type:	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)

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Multiplets	❮ ❯ 5.57 3.89 3.85 3.49 3.20 3.04 3.04 2.93 2.86 2.86 2.86 2.52 2.52 2.51 2.43 2.43 2.25 2.25 2.25 1.70 1.59 1.58 1.44 1.44 1.31 1.31 1.29 1.28 1.28 1.27 1.27 1.01 0.98 0.87

Peak Assignment Table
Row No.	Cluster Midpoint	No. Peaks	Coupling Type	No. H's	Atom No.		Peak Centers (ppm)
1	5.57	6	td	1	70	+	5.555.565.565.585.585.59
2	3.89	3	dd	1	62	+	3.883.893.90
3	3.85	27	tt	1	93	+	3.793.803.803.813.823.823.833.833.833.843.843.843.853.853.853.863.863.863.873.873.873.883.883.893.903.903.91
4	3.49	6	m	1	79	+	3.463.473.483.493.503.52
5	3.20	4	dd	1	96	+	3.173.193.213.23
6	3.04	5	m	1	65	+	3.013.023.043.063.07
7	3.04	5	m	1	101	+	3.013.023.043.063.07
8	2.93	20	m	1	58	+	2.882.892.902.902.902.912.912.922.922.932.932.932.942.942.952.952.962.962.962.98
9	2.86	53	m	1	90	+	2.782.792.802.802.802.802.802.812.812.812.812.822.822.822.832.832.832.842.842.842.842.852.852.852.862.862.862.862.872.872.872.872.882.882.882.882.892.892.892.902.902.912.912.912.922.922.932.932.932.942.942.962.97
10	2.86	69	td	2	91 92	+	2.772.772.782.792.792.802.802.832.852.852.852.862.862.872.872.902.912.912.912.922.932.932.772.772.782.792.792.802.812.822.822.832.832.842.842.842.842.852.852.852.852.852.862.862.862.862.872.872.872.872.872.882.882.882.882.892.892.902.902.902.912.912.912.922.922.932.932.932.94
11	2.86	4	dd	1	95	+	2.832.852.872.89
12	2.52	6	ddd	1	78	+	2.492.502.522.522.542.55
13	2.52	31	dtd	1	56	+	2.452.462.462.472.472.482.482.482.492.502.502.502.502.512.512.512.522.522.532.532.532.542.542.542.542.552.552.562.582.592.61
14	2.51	39	dtd	1	81	+	2.352.362.362.382.382.412.432.442.452.462.472.482.482.502.502.502.512.512.512.522.522.532.532.532.542.542.542.552.552.552.562.562.582.582.592.602.602.632.66
15	2.43	4	dd	1	99	+	2.412.422.442.46
16	2.43	2	d	2	63 64	+	2.422.44
17	2.25	4	dd	1	100	+	2.222.242.262.27
18	2.25	3	t	2	102 103	+	2.242.242.26
19	2.25	3	t	2	66 67	+	2.242.242.26
20	1.70	6	ddd	1	77	+	1.671.681.701.701.721.73
21	1.59	4	dd	2	71 72	+	1.611.581.591.60
22	1.58	33	dtd	1	57	+	1.521.521.531.531.531.541.541.541.551.551.551.571.571.571.571.581.581.581.591.591.601.601.611.611.611.611.611.621.621.631.651.661.68
23	1.44	41	dtd	1	82	+	1.351.361.361.371.371.381.381.391.391.391.401.401.401.411.421.421.441.441.441.441.451.451.451.461.461.471.471.471.481.481.481.491.491.491.501.501.521.521.531.541.54
24	1.44	8	m	1	73	+	1.391.401.421.431.451.461.481.49
25	1.31	37	m	1	83	+	1.221.241.251.251.261.261.261.271.271.281.281.281.291.291.291.301.311.311.311.321.321.331.331.331.341.341.341.351.361.361.371.371.381.381.401.411.41
26	1.31	40	m	1	89	+	1.231.241.241.251.261.261.271.271.271.271.281.281.281.291.291.291.301.301.301.311.311.311.311.321.321.331.331.331.331.341.341.341.351.351.351.361.361.361.371.38
27	1.29	41	m	1	53	+	1.211.211.221.231.231.241.241.251.251.261.261.261.271.271.271.281.281.281.291.301.301.301.301.311.311.321.321.321.321.331.331.331.331.341.341.351.351.351.361.371.38
28	1.28	28	m	1	84	+	1.231.231.231.241.241.251.261.261.261.271.271.271.271.281.281.281.291.291.291.301.301.311.311.311.321.321.321.34
29	1.28	125	m	4	85 86 87 88	+	1.201.211.211.211.221.221.231.251.251.251.261.261.261.271.281.281.281.281.291.291.291.301.301.311.311.321.321.331.331.341.351.191.211.211.231.231.231.241.241.251.261.261.271.271.281.281.281.281.291.301.301.301.311.311.311.321.321.321.331.331.341.341.351.361.211.211.221.241.251.261.261.261.261.271.271.281.281.281.281.291.291.301.301.301.311.311.311.321.321.331.341.341.211.221.221.231.231.241.241.251.251.251.251.251.251.261.261.261.271.271.281.281.281.281.291.291.291.301.301.311.311.311.321.321.33
30	1.27	36	m	1	52	+	1.201.211.211.211.221.221.221.231.231.241.241.241.251.251.251.261.261.261.271.271.281.281.281.291.291.301.301.301.301.311.311.311.331.341.351.36
31	1.27	60	tt	2	54 55	+	1.201.211.221.221.221.221.231.241.241.261.261.281.281.291.291.291.301.301.301.301.311.311.311.321.321.331.331.191.201.211.211.221.221.221.231.231.231.241.241.251.251.251.251.261.261.261.271.271.281.281.291.291.291.301.301.311.311.311.331.34
32	1.01	3	t	3	59 60 61	+	1.020.991.01
33	0.98	5	quint	3	74 75 76	+	0.990.980.990.960.98
34	0.87	51	t	3	49 50 51	+	0.810.840.840.860.860.880.890.900.900.910.920.920.920.930.800.850.850.860.870.880.890.890.900.910.910.920.920.930.780.800.810.820.820.830.830.840.850.850.860.860.860.870.870.880.880.890.900.900.910.920.92

Experimental Conditions

Solvent:	D₂O
Nucleus:	¹H
Frequency:	400 MHz

Documentation

Document Description	Download	File Size
Peak List (TXT)	Download file	48.6 KB
Peak Assignments (TXT)	Download file	1.73 KB
Spectra Image with Peak Assignments	Not Available	Not Available
Raw Spectrum Image	Not Available	Not Available
nmrML File (NMRML)	Download file	631 KB
JCAMP-DX File	Not Available	Not Available
Raw Free Induction Decay file for spectral processing	Not Available	Not Available
Validation Report	Not Available	Not Available

References

Not Available