1H NMR Spectrum (1D, 800 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, 800 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
5.83
5.51
5.40
5.38
4.52
4.18
3.82
3.23
2.92
2.34
2.27
2.23
2.03
1.80
1.66
1.37
1.37
1.36
0.88
Peak Assignment Table
Row No.Cluster MidpointNo. PeaksCoupling TypeNo. H'sAtom No.Peak Centers (ppm)
17.402d1
65
7.407.40
26.874dd1
59
6.856.876.876.89
36.5513dd1
58
6.526.536.536.546.546.546.566.566.566.566.586.586.59
46.2410dd1
57
6.226.236.236.246.246.246.256.256.266.26
56.229dd1
56
6.206.206.216.216.226.226.236.236.23
66.204dd1
60
6.196.196.216.21
75.8316dt1
55
5.805.815.815.825.825.825.835.835.835.835.845.845.845.855.855.86
85.516dt1
52
5.495.505.515.515.525.53
95.406dt1
51
5.385.395.405.405.415.42
105.384dd1
61
5.375.385.385.39
114.524td1
75
4.514.524.524.53
124.183t1
70
4.174.184.19
133.826dt1
64
3.813.823.823.823.823.83
143.232d2
62
63
3.233.23
152.923t2
53
54
2.912.922.93
162.343t2
81
82
2.332.342.35
172.2716td2
68
69
2.262.272.282.282.262.262.272.272.272.272.272.282.282.282.282.30
182.2311t2
66
67
2.222.242.242.222.222.232.232.232.232.242.24
192.0327dt2
49
50
2.012.022.022.032.032.032.042.042.052.062.012.012.022.022.022.022.032.032.032.032.032.042.042.042.052.052.06
201.8012td2
77
78
1.791.811.791.791.801.801.801.801.801.811.811.81
211.667tt2
79
80
1.641.641.651.661.671.681.68
221.3752tt2
45
46
1.341.351.351.361.361.361.361.361.361.361.371.371.371.371.381.381.381.381.391.391.391.341.341.341.351.351.361.361.361.361.361.361.371.371.371.371.371.371.371.371.371.381.381.381.381.381.391.391.391.391.391.39
231.3755m2
43
44
1.341.351.351.351.351.361.361.361.361.361.361.361.371.371.371.381.381.381.381.381.381.381.391.401.341.351.351.351.351.351.361.361.361.361.361.361.361.371.371.371.371.371.381.381.381.381.381.381.381.381.391.391.391.391.40
241.3653tt2
47
48
1.331.331.341.351.351.351.351.361.361.361.361.371.371.371.371.371.371.381.381.381.381.331.331.331.341.341.341.341.341.351.351.351.351.351.351.361.361.361.361.361.361.371.371.371.371.371.371.381.381.381.381.381.39
250.8839t3
40
41
42
0.860.860.870.870.870.880.890.890.860.860.870.870.880.880.880.880.880.880.890.900.900.900.860.860.860.870.870.880.880.880.880.880.890.890.890.900.900.900.90
Experimental Conditions
Solvent:H2O
Nucleus:1H
Frequency:800 MHz
Documentation
Document DescriptionDownloadFile Size
Peak List (TXT)Download file24.1 KB
Peak Assignments (TXT)Download file1.36 KB
Spectra Image with Peak AssignmentsNot AvailableNot Available
Raw Spectrum ImageNot AvailableNot Available
nmrML File (NMRML)Download file591 KB
JCAMP-DX File (JDX)Download file190 KB
Raw Free Induction Decay file for spectral processingNot AvailableNot Available
Validation ReportNot AvailableNot Available
References
Not Available