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Ethyl 2-{5-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}acetate
SpectraBase Compound ID 67tDSKmyfyR
InChI InChI=1S/C13H12F3N3O2/c1-2-21-11(20)7-10-17-12(19-18-10)8-4-3-5-9(6-8)13(14,15)16/h3-6H,2,7H2,1H3,(H,17,18,19)
InChIKey UCHRRCQPUPEOEU-UHFFFAOYSA-N
Mol Weight 299.25 g/mol
Molecular Formula C13H12F3N3O2
Exact Mass 299.088161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45GNgwbuXg
Name Ethyl 2-{5-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}acetate
Alternate Name(s) Ethyl 2-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]acetate Ethyl 2-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]ethanoate
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Formula C13H12F3N3O2
InChI InChI=1S/C13H12F3N3O2/c1-2-21-11(20)7-10-17-12(19-18-10)8-4-3-5-9(6-8)13(14,15)16/h3-6H,2,7H2,1H3,(H,17,18,19)
InChIKey UCHRRCQPUPEOEU-UHFFFAOYSA-N
Molecular Weight 299.253 g/mol
SMILES [nH]1c(nnc1-c1cc(C(F)(F)F)ccc1)CC(=O)OCC
SPLASH splash10-004j-1690000000-09ba59724111249b9381
Source of Spectrum IY-2-5212-0
Wiley ID 1660103