MestRe-C: pages: Start program……………………………………………………………... 2-3 Perform Fourier Transform of FID data and zooming…. 4-6 Initial parameter guesses………………………………….………. 7-8 Simulation of spectrum………………………………………………. 9-11

Start program Go to „ https://notendur.hi.is/~agust/kennsla/ee16/ees/MestRe-C/ „

Download „kdu_v50R.dll”: Double click “kdu_v50R.dl”; Press “Keep” Double click „MestReC.exe”; Open; Press “Run” Now you are ready to go

2) Perform Fourier Transform of FID data and zooming File -> Import spectra -> fid FT Press „FT“

Press „ Apply along t1“ Zoom in by using the magnifying glass

Zoom in by using the magnifying glass

3) Parameter guesses 1H-NMR

Kúplingsfastar Guess values based on 1st order analysis: HB HA 3.39 ppm 3.33ppm JAB JAB C 4.05 ppm HC C JBC JAC HB HA

4) Simulation

Type information from slide 8 and relevant parameters: „OK“

Comparison of spectra: Exp. Calc.