Experimental Data

Tip: Supports comma or tab-separated values. F2 supports | for multiple values (averaged). -999 indicates virtual point. 3rd column (type) enables 13C-HSQC-type mode automatically.

Filter Criteria

Support multiple ranges
Support multiple ranges
Comma-separated

Algorithm Parameters

13C dimension
1H dimension
≥50% recommended
Minimum clusters for equivalent mode

NP Classifier Filters

Alkaloids
Flavonoids
Terpenoids
Polyketides
Amino acids
Organic acids
Lipids
Phenylpropanoids
Saccharides

Element & Fragment Filters

only CHO
N
P
S
Cl
Br
other
A (Pattern 101)
B (Pattern 102)
C (Pattern 103)

Substructure / Similarity Search

Enter one SMILES per line
How to combine multiple SMILES
Enter one SMILES per line
Tanimoto coefficient

Advanced Options

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