Spectral Similarity Search with Ranking
Accessing 553,795,172 predicted 13C-NMR spectra




Enter CARBON chemical shift value (ppm) and MULTIPLICITY of your signals:

Allowed chemical shift range for 13C-signals is between -399.0 and +399.0 ppm

s = singulet ( Cquat ), d = doublet ( CH ), t = triplet ( CH2 ), q = quartet ( CH3 ),
e = even ( CH or CH3 ), o = odd ( Cquat or CH2 ), p = protonated ( CH or CH2 or CH3 ) , ? = unknown ( any type )

Couplings to other nuclei than protons (e.g. 31P, 19F) are ignored - enter only the shift values !
e.g. a CF3-group should be given as "122.8 s 2.5"

Deviation: 1.0 to 5.0 ppm allowed, useful values are somewhere around 3 ppm




Enter ALL LINES belonging to your unknown compound - entering only significant lines is insufficient

 
Linenumber  Chemical Shift (ppm)     Multiplicity        Deviation (ppm)      
As an alternative: Copy/Paste peaklist
  Shiftvalue [ Multiplicity [ Deviation ]]; one per line
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Global pattern of
reference-spectrum:
        No other significant lines            Other significant lines allowed      




Recommendation: Limit your result by molecular weight and number of signals in reference compounds

Molecular weight from        to            Use constraint for display only
     Use constraint already during search
Number of signals from        to      



Recommendation: Select presence / absence of elements in reference compounds
F and P are easily seen from NMR, you might know presence / absence of N, Cl and Br from MS

 
  N   O  P  F   Cl  Br
other
Element must be absent:                                               
Element may be absent or present:                                               
Element must be present:                                               



Data must be given: Email for receiving result, projectname and name of peaklist/compound - select descriptive names
 
Email for receiving result:    *   
Name of Project:    *   
Name of Peaklist / Compound:    *