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5-{1-[2-Fluoro-4'-(trifluoromethyl)biphenyl-4-yl]ethyl}-2H-tetrazole
SpectraBase Compound ID 8dU7N11v7CM
InChI InChI=1S/C16H12F4N4/c1-9(15-21-23-24-22-15)11-4-7-13(14(17)8-11)10-2-5-12(6-3-10)16(18,19)20/h2-9H,1H3,(H,21,22,23,24)
InChIKey JOZCMMCCPQJFBU-UHFFFAOYSA-N
Mol Weight 336.29 g/mol
Molecular Formula C16H12F4N4
Exact Mass 336.099809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SZPj4fjl6u
Name 5-{1-[2-Fluoro-4'-(trifluoromethyl)biphenyl-4-yl]ethyl}-2H-tetrazole
Comments Less than 3 mono-isotopic peaks
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Formula C16H12F4N4
InChI InChI=1S/C16H12F4N4/c1-9(15-21-23-24-22-15)11-4-7-13(14(17)8-11)10-2-5-12(6-3-10)16(18,19)20/h2-9H,1H3,(H,21,22,23,24)
InChIKey JOZCMMCCPQJFBU-UHFFFAOYSA-N
Molecular Weight 336.294 g/mol
SMILES [nH]1nnc(n1)C(c1cc(F)c(cc1)-c1ccc(C(F)(F)F)cc1)C
SPLASH splash10-014i-0094000000-aca720e8e3d2c520eea1
Source of Spectrum AF-48-5717-21
Synonyms 5-[1-[3-fluoranyl-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2H-1,2,3,4-tetrazole
Wiley ID 1693949