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1-Benzyl-5-(2,3,4,5,6-pentafluorophenyl)triazole-4-carbonitrile
SpectraBase Compound ID 4UnBuvl6qgL
InChI InChI=1S/C16H7F5N4/c17-11-10(12(18)14(20)15(21)13(11)19)16-9(6-22)23-24-25(16)7-8-4-2-1-3-5-8/h1-5H,7H2
InChIKey VQEJDJMKGJFDMO-UHFFFAOYSA-N
Mol Weight 350.25 g/mol
Molecular Formula C16H7F5N4
Exact Mass 350.059087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7C39fJFnpPs
Name 1-Benzyl-5-(2,3,4,5,6-pentafluorophenyl)triazole-4-carbonitrile
Alternate Name(s) 5-(2,3,4,5,6-pentafluorophenyl)-1-(phenylmethyl)-4-triazolecarbonitrile 5-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1-(phenylmethyl)-1,2,3-triazole-4-carbonitrile
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Formula C16H7F5N4
InChI InChI=1S/C16H7F5N4/c17-11-10(12(18)14(20)15(21)13(11)19)16-9(6-22)23-24-25(16)7-8-4-2-1-3-5-8/h1-5H,7H2
InChIKey VQEJDJMKGJFDMO-UHFFFAOYSA-N
Molecular Weight 350.252 g/mol
SMILES c1(-c2[n](nnc2C#N)Cc2ccccc2)c(c(F)c(c(c1F)F)F)F
SPLASH splash10-0006-9022000000-ff74a3d689c5d7b3865a
Source of Spectrum AJ-43-677-4
Wiley ID 1594092