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3-Benzyl-5-(2,3,4,5,6-pentafluorophenyl)triazole-4-carbonitrile
SpectraBase Compound ID EAbF5JQvWc2
InChI InChI=1S/C16H7F5N4/c17-11-10(12(18)14(20)15(21)13(11)19)16-9(6-22)25(24-23-16)7-8-4-2-1-3-5-8/h1-5H,7H2
InChIKey TZOXPYDPNUKJQM-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 5iafsAuN5xQ
Name 3-Benzyl-5-(2,3,4,5,6-pentafluorophenyl)triazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H7F5N4
InChI InChI=1S/C16H7F5N4/c17-11-10(12(18)14(20)15(21)13(11)19)16-9(6-22)25(24-23-16)7-8-4-2-1-3-5-8/h1-5H,7H2
InChIKey TZOXPYDPNUKJQM-UHFFFAOYSA-N
Molecular Weight 350.252 g/mol
SMILES c1(-c2c(c(F)c(c(c2F)F)F)F)c([n](Cc2ccccc2)nn1)C#N
SPLASH splash10-0f6x-9045000000-6edb1e467851a9e37dcb
Source of Spectrum AJ-43-676-3
Synonyms 5-(2,3,4,5,6-pentafluorophenyl)-3-(phenylmethyl)-4-triazolecarbonitrile 5-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-3-(phenylmethyl)-1,2,3-triazole-4-carbonitrile
Wiley ID 1594098