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Spectral Data   Additional Data   Download  
Molecule
60016241
Chemical name(s)1-(Difluoromethyl)-1H-1,2,4-triazole
Chemical formulaC3H3N3F2
Molecular weight119.073
Number of double bond equivalents (DBEs)3.0
Number of all rings, size of smallest set of smallest rings1, 1
Canonical name(s)
CAS-Number 95759-01-6
Additional information
Links from Unichem: EPA (Environmental Protection Agency) CompTox Dashboard;MolPort;ZINC;PubChem Compounds;SureChEMBL
Molecule keywords
DOI
19F Spectrum
60018512 Rating: 10
Type19F
Measurement conditions
Temperature [K]298
SolventChloroform-D1 (CDCl3)
Field Strength [MHz]188.6792554682204
Assignment MethodUnreported
Literature K. I. Petko; L. M. Yagupolskii; T. M. Sokolenko: N-trifluoromethylazoles, in: Chemistry of Heterocyclic Compounds, vol. 45/2009, pp. 430 - 435 (DOI: 10.1007/s10593-009-0289-4).
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