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O-Ethyl,O-(3-trifluoromethylphenyl),O-(E)-1-{1-[(2-chlorothiazol-5-yl)methyl]-5-methyl-1H-1,2,3-triazol-4-yl}ethylidene amino thiophosphate

View entire compound with spectra: 1 MS (GC)

O-Ethyl,O-(3-trifluoromethylphenyl),O-(E)-1-{1-[(2-chlorothiazol-5-yl)methyl]-5-methyl-1H-1,2,3-triazol-4-yl}ethylidene amino thiophosphate
SpectraBase Compound ID 13qz8i7KvAl
InChI InChI=1S/C18H18ClF3N5O3PS2/c1-4-28-31(32,29-14-7-5-6-13(8-14)18(20,21)22)30-25-11(2)16-12(3)27(26-24-16)10-15-9-23-17(19)33-15/h5-9H,4,10H2,1-3H3/b25-11+
InChIKey HODLJXRKMZXBLP-OPEKNORGSA-N
Mol Weight 539.92 g/mol
Molecular Formula C18H18ClF3N5O3PS2
Exact Mass 539.022931 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FuAe4VbJu4A
Name O-Ethyl,O-(3-trifluoromethylphenyl),O-(E)-1-{1-[(2-chlorothiazol-5-yl)methyl]-5-methyl-1H-1,2,3-triazol-4-yl}ethylidene amino thiophosphate
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Formula C18H18ClF3N5O3PS2
InChI InChI=1S/C18H18ClF3N5O3PS2/c1-4-28-31(32,29-14-7-5-6-13(8-14)18(20,21)22)30-25-11(2)16-12(3)27(26-24-16)10-15-9-23-17(19)33-15/h5-9H,4,10H2,1-3H3/b25-11+
InChIKey HODLJXRKMZXBLP-OPEKNORGSA-N
Molecular Weight 539.916 g/mol
SMILES c1nc(sc1C[n]1nnc(c1C)\C(=N\OP(OCC)(=S)Oc1cc(ccc1)C(F)(F)F)C)Cl
SPLASH splash10-03ei-0950000000-dafc1ce5893db208806d
Source of Spectrum CJC-27-567-4f
Synonyms (E)-O-ethyl O-(3-(trifluoromethyl)phenyl) ((1-(1-((2-chlorothiazol-5-yl)methyl)-5-methyl-1H-1,2,3-triazol-4-yl)ethylidene)amino)oxyphosphonothioate
Wiley ID 1772291