二维核磁共振谱原理课件

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NOESY Spectrum of Codeine
In addition to confirming assignments, the NOESY spectrum allows stereospecific assignments of methylene Hs. The 3 crosspeaks indicated in red on the plot below distinguish between the 3 CH2 pairs:
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NOESY Spectrum of Codeine
Expansion of the upfield region:
8 - 7, 12 7 - 18, 18' 3 - 5, 10 5 - 11, 16, 18' 9 - 10, 17, 17' 10 - 16 11 - 18, 16, 14, 18' 18 - 13, 18' 16 - 14, 17 13 - 14, 17, 17' 13' - 17, 17' 17 - 17'
Table of COSY correlations
shift
shift
Assignments
6.6
6.7
7 -8
5.7
5.3
3 -5
5.7
2.7
3 - 16
5.7
4.9
3-9 weak
5.3
4.2
5 - 10
5.3
2.7
5 - 16
4.9
4.2
9 - 10
4.2
2.9
10 - OH
3.3
2.7
11- 16
3.3
2.4
11 - 14
3.3
2.3
11 - 18'
3.0
2.4
18 - 14
3.0
2.3
18 - 18'
2.6
2.4
13 - 13'
2.6
2.1
13 - 17
2.6
1.9
13 - 17'
2.4
2.1
13' - 17
2.4
1.9
13' - 17'
wk.baidu.com
2.1
1.9
17 - 17'
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COSY: 1H-1H Coupling
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COSY Spectrum of Codeine 文档仅供参考,不能作为科学依据,请勿模仿;如有不当之处,请联系网站或本人删除。
Coupling "networks" can be traced out, as shown in the figure below.
The colored arrows trace out coupling networks, corresponding to: H-3 —> H-5 —> H-10 —> OH H-10 -> H-9 H-3 —> H-16 H-16 —> H-11
COSY Spectrum of Codeine 文档仅供参考,不能作为科学依据,请勿模仿;如有不当之处,请联系网站或本人删除。
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COSY: Hypothetical Coupling
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NOESY. . .
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NOESY Spectrum of Codeine
The sample is 3.3 mg of codeine in .65 ml CDCl3 A contour plot of the NOESY spectrum is shown below. As with all homonuclear 2D plots, the diagonal consists of intense peaks that match the normal spectrum, as do projections onto each axis. The interesting information is contained in the "cross-peaks", which appear at the coordinates of 2 protons which have an NOE correlation. For small molecules, the NOE is negative. Exchange peaks have the opposite sign from NOE peaks, making them easy to identify. The water peak at 1.5 ppm exchanges with the OH at 2.9 ppm, shown here in red. The spectrum is phased with the large diagonal peaks inverted (shown in red here), so the NOE cross-peaks are positive.
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What You See In a NOESY. . .
突出表现NOE效应的NOESY谱 文档仅供参考,不能作为科学依据,请勿模仿;如有不当之处,请联系网站或本人删除。