1. CH-CN
PPT:
PXP:
XLS:
sheets: CH-CN-1, CH-CN-2,…
Upadated

2. „Mestre C“ to be found on the hard disc „Seagate Expansion Drive“
I. MESTRE-C procedure for creating NMR spectra from Fid´s according to :
„nuts files (necessary input files for WINDNMR) are created with Mestre C as
(inside Mestre C):
File->import spectra->....schsih3-> FID gogn->
Select for example sow417mr.163->open->FT -> 256K->Apply along t1->
Phase correction(if needed):select region of interest by using magnifying glass(+) and
click and drag untill satisfactory-> press phase correction button->click mouse as said
and hold and drag up or down and you will see the phase change; stop when it is good
->OK->File->Export file -> nuts->...appropriate file-> type name: schsih3-163.nts->save
„Mestre C“ to be found on
the hard disc
„Seagate Expansion Drive“
Also to be found under:

3. Data to be found under:

4. C4 C3(C5) T(NMR): T(corr.) C1 C2(C6) ppm C3 eq C4 ax C2 eq C2 ax C1 eq C1
C2(C6) C3 eq C4 ax C2 eq C2 ax C1 eq C3 ax C1 ax C4 eq
ppm
; Lay0,Gr1
sheet: CH-CN-1
C2,C6 eq

5. Aparently some solvent effect shift of spectra
CN C17/C18
T(NMR): T(corr.)
Aparently some solvent
effect shift of spectra
CN(eq)
C17
CN(ax)
C18
ppm
; Lay1,Gr0
sheet: CH-CN-1

6. http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm :
This worked
on PC at home

7.
Inside WINDNMR (has to be without some other experimental spectrum inside):
File->open new spectrum->..select appropriate file>select schsih3-163.nts->open->
select the spectrum area of interest by click, drag drop and choose “Expand spectrum”;
You may need to do this several time untill you ar happy.
NB!: Simulation er framkvæmd manually, þ.e. með því að breyta parametrum handvirkt og lágmarka error og/eða með því að fá besta sjónræna fit!
Move date from WINDNMR to IGOR:
After simulation has been performed inside WINDNMR: Export->Spectrum data to
Clipboard (for spreadsheet)-> move to a table inside IGOR and simply paste =>
calculated and experimental spectra are copied to four columns as:
1st column: x axis values for calc.; 2nd column: y axis values for calc.;
3rd column: x axis values for exp.; 4st column: y axis values for exp.;