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Choose an MNova mol or sd file (MNova 11 or newer) or ChemDraw mol file with labels:
Atom No. 13C Shift 1H Shift 2nd shift for diastereotopic atoms
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Input list: Input format
Input list: Input format
Use .SHIFT REFERENCE in jcamp files (e. g. files from Topspin)
Do not use .SHIFT REFERENCE in jcamp files (e. g. files from ACD/SpecManager, Spinworks)
Jcamp-dx file: Jcamp-dx file:
If your structure has more atoms, transfer to get more fields!
*=symmetrical atom, if left empty it will be filled in automatically
 
     


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