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1-(Phenylmethyl)-5-(2,4,5-trifluorophenyl)-4-triazolecarbonitrile
SpectraBase Compound ID 2YqxE4TmFh3
InChI InChI=1S/C16H9F3N4/c17-12-7-14(19)13(18)6-11(12)16-15(8-20)21-22-23(16)9-10-4-2-1-3-5-10/h1-7H,9H2
InChIKey CNWYUXPRCRCKDH-UHFFFAOYSA-N
Mol Weight 314.27 g/mol
Molecular Formula C16H9F3N4
Exact Mass 314.077931 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDynApL182T
Name 1-(Phenylmethyl)-5-(2,4,5-trifluorophenyl)-4-triazolecarbonitrile
Alternate Name(s) 1-(Phenylmethyl)-5-[2,4,5-tris(fluoranyl)phenyl]-1,2,3-triazole-4-carbonitrile 1-Benzyl-5-(2,4,5-trifluorophenyl)triazole-4-carbonitrile
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Formula C16H9F3N4
InChI InChI=1S/C16H9F3N4/c17-12-7-14(19)13(18)6-11(12)16-15(8-20)21-22-23(16)9-10-4-2-1-3-5-10/h1-7H,9H2
InChIKey CNWYUXPRCRCKDH-UHFFFAOYSA-N
Molecular Weight 314.271 g/mol
SMILES c1([n](nnc1C#N)Cc1ccccc1)-c1c(cc(c(c1)F)F)F
SPLASH splash10-0006-9000000000-ab39d7445a8a0909d853
Source of Spectrum AJ-43-677-4
Wiley ID 1594093