For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-Benzyl-5-(2',4',5'-trifluorophenyl)-3H-(1,2,3)-triazole-4-carbonitrile
SpectraBase Compound ID 88DGFYAXqvG
InChI InChI=1S/C16H9F3N4/c17-12-7-14(19)13(18)6-11(12)16-15(8-20)23(22-21-16)9-10-4-2-1-3-5-10/h1-7H,9H2
InChIKey VDWUCDJROIQUMB-UHFFFAOYSA-N
Mol Weight 314.27 g/mol
Molecular Formula C16H9F3N4
Exact Mass 314.077931 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6a2L8bTO1ZX
Name 3-Benzyl-5-(2',4',5'-trifluorophenyl)-3H-(1,2,3)-triazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9F3N4
InChI InChI=1S/C16H9F3N4/c17-12-7-14(19)13(18)6-11(12)16-15(8-20)23(22-21-16)9-10-4-2-1-3-5-10/h1-7H,9H2
InChIKey VDWUCDJROIQUMB-UHFFFAOYSA-N
Molecular Weight 314.271 g/mol
SMILES c1(c([n](Cc2ccccc2)nn1)C#N)-c1c(cc(c(c1)F)F)F
SPLASH splash10-00kf-9010000000-665c35215562a6061270
Source of Spectrum AJ-43-676-3
Synonyms 1-Benzyl-4-(2,4,5-trifluorophenyl)-1H-1,2,3-triazole-5-carbonitrile 3-(Phenylmethyl)-5-(2,4,5-trifluorophenyl)-4-triazolecarbonitrile 3-(Phenylmethyl)-5-[2,4,5-tris(fluoranyl)phenyl]-1,2,3-triazole-4-carbonitrile
Wiley ID 1594099