Spectral Similarity Search with Ranking
Accessing 615,365,172 predicted 13C-NMR spectra

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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
In case your peaklist holds more than 30 lines then click here:  
 
Linenumber  Chemical Shift (ppm)     Multiplicity        Deviation (ppm)      
As an alternative: Copy/Paste peaklist
  Shiftvalue [ Multiplicity [ Deviation ]]; one per line
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Click here when your peaklist holds more than 30 lines --->     <--- Click here when your peaklist holds more than 30 lines


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

A specified range of less/equal 250 amu activates possibility to rate your result
A specified range of less/equal 15 signals activates possibility to rate your result


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

Providing information about presence/absence of F and P activates possibility to rate your result
Restricting the number of elements with unknown presence/absence to 5 activates possibility to rate your result

 
  N   O  P S  F   Cl  Br I 
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:    *   


      

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