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General   ChiuZ/Chloroform-D1 (CDCl3)  
Spectral Data   Additional Data   Download  
Molecule
20236671
Chemical name(s)Cantharidin
Chemical formulaC10H12O4
Molecular weight196.2
Number of double bond equivalents (DBEs)5.0
Number of all rings, size of smallest set of smallest rings6, 3
Canonical name(s)
CAS-Number 56-25-7
Additional information Deposition in PubChem;
Links from Unichem: KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;ChEMBL;MolPort;Nikkaji;PubChem Compounds;SureChEMBL;IBM strategic IP insight platform and the National Institutes of Health;BindingDB;eMolecules;P... (truncated)
Molecule keywords
13C Spectrum
20241620 Rating: 10
Type13C
Prediction conditions
ProgramCSEARCH
Literature
Additional commentsPrediction via CSEARCH
Additional information CSEARCH
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
CSEARCH-Prediction 0
expt-1
ChiuZ
1 D 84.8 83.784.8
2 S 55.3 55.055.3
3 S 55.3 55.055.3
4 D 84.8 83.784.8
5 T 23.4 22.623.4
6 T 23.4 22.623.4
7 S 175.9 178.2175.9
8 S 175.9 178.2175.9
9 Q 12.7 15.512.7
10 Q 12.7 17.912.7






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