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Use of the program gNMR to calculate NMR spectrum

Use of the program gNMR to calculate NMR spectrum Example: etanol: CH3-CH2-OH; see: http://riodb01.ibase.aist.go.jp/sdbs/cgi-bin/direct_frame_top.cgi. Assign. Shift(ppm) A 3.687 B 2.61 C 1.226. Demo version of gNMR can be downloded from the web:

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Use of the program gNMR to calculate NMR spectrum

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  1. Use of the program gNMR to calculate NMR spectrum Example: etanol: CH3-CH2-OH; see: http://riodb01.ibase.aist.go.jp/sdbs/cgi-bin/direct_frame_top.cgi Assign. Shift(ppm)A 3.687 B 2.61 C 1.226

  2. Demo version of gNMR can be downloded from the web: • http://www.adeptscience.co.uk/products/lab/gnmr/ • Alternatively • an old PC-version can be copied via ÁK. • gNMR is to be found on PC computers in VRI-121

  3. Go to folder (gNMR) which includes gNMR program:

  4. Double click gNMR:

  5. Press “Run”

  6. Press ”Start with an empty molecule”:

  7. Type in appropriate values for ethanol: For example as: No protone n 1 CH3 3 2 OH 1 3 CH2 2 J=0 J=7 Hz J=0 Assign. Shift(ppm)A 3.687 B 2.61 C 1.226

  8. Press “Spectrum”:

  9. Expand CH2 spectrum: move curse on left side of CH2 spectrum

  10. Click and drag to the right side of the CH2 spectrum

  11. Release and click:

  12. Right click:

  13. Integrate:

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