1H NMR Spectrum (1D, 300 MHz, H2O, predicted) (NP0145011)

Spectrum Details
NP-MRD ID:NP0145011
Compound name:(5s,6r,7e,9e,11z,14z)-6-{[(2r)-2-{[(4s)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-carboxyethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Spectrum type:1H NMR Spectrum (1D, 300 MHz, H2O, predicted)
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?JSV
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Multiplets❮ ❯
7.40
6.87
6.55
6.24
6.22
6.20
5.84
5.51
5.40
5.38
4.52
4.18
3.82
3.23
2.92
2.34
2.27
2.23
2.02
1.80
1.66
1.38
1.37
1.37
0.88
Peak Assignment Table
Row No.Cluster MidpointNo. PeaksCoupling TypeNo. H'sAtom No.Peak Centers (ppm)
17.402d1
65
7.397.41
26.874dd1
59
6.836.866.886.92
36.5514dd1
58
6.496.506.516.526.536.536.556.556.566.576.576.596.616.63
46.249dd1
57
6.186.216.226.236.246.256.266.296.29
56.227dd1
56
6.176.186.206.216.236.256.27
66.204dd1
60
6.166.186.216.24
75.8418dt1
55
5.765.785.795.805.815.815.825.835.835.845.845.855.865.875.875.895.905.91
85.516dt1
52
5.475.495.515.525.535.55
95.406dt1
51
5.365.385.395.405.425.44
105.384dd1
61
5.365.385.385.40
114.524td1
75
4.494.514.534.55
124.1816t1
70
4.114.114.134.144.164.164.184.184.184.194.194.204.204.234.234.25
133.826dt1
64
3.793.813.813.833.833.85
143.232d2
62
63
3.223.24
152.923t2
53
54
2.902.922.94
162.343t2
81
82
2.322.342.36
172.2715td2
68
69
2.202.212.252.282.252.252.262.262.272.282.282.292.302.312.33
182.2314t2
66
67
2.202.212.242.242.182.192.202.212.232.242.242.252.282.30
192.0225dt2
49
50
1.971.981.992.061.951.961.961.971.981.992.002.002.002.012.022.022.032.032.042.052.062.062.072.082.09
201.8011td2
77
78
1.771.771.791.791.791.801.811.811.821.831.83
211.6612tt2
79
80
1.641.701.611.621.631.641.661.661.681.681.701.70
221.3851tt2
45
46
1.301.311.321.321.331.341.341.351.351.361.361.361.361.371.381.381.381.381.391.391.401.401.411.411.411.431.431.431.321.331.341.351.361.361.361.361.371.381.381.381.391.391.401.401.411.411.411.421.431.431.43
231.3751m2
43
44
1.271.311.331.331.331.341.351.361.361.361.371.371.381.381.381.391.391.391.401.411.431.291.311.311.311.331.331.331.341.341.341.351.351.361.361.371.381.381.391.391.391.391.401.401.411.411.421.431.431.431.45
241.3744tt2
47
48
1.341.341.361.361.391.391.401.411.411.421.431.431.281.291.301.301.311.311.321.321.331.331.341.341.341.351.351.361.361.361.371.371.381.381.391.391.391.401.401.411.411.411.421.43
250.8844t3
40
41
42
0.810.830.840.860.860.880.880.880.890.920.810.830.860.860.860.880.880.890.890.900.920.930.940.810.830.840.840.860.860.860.870.870.870.880.880.890.900.900.900.900.930.930.940.95
Experimental Conditions
Solvent:H2O
Nucleus:1H
Frequency:300 MHz
Documentation
Document DescriptionDownloadFile Size
Peak List (TXT)Download file25.5 KB
Peak Assignments (TXT)Download file1.36 KB
Spectra Image with Peak AssignmentsNot AvailableNot Available
Raw Spectrum ImageNot AvailableNot Available
nmrML File (NMRML)Download file592 KB
JCAMP-DX File (JDX)Download file200 KB
Raw Free Induction Decay file for spectral processingNot AvailableNot Available
Validation ReportNot AvailableNot Available
References
Not Available