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

*Links on SpectraBase are not permalinks.
Methyl 3-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-1,2,4-triazole-5-carboxylate
SpectraBase Compound ID 9MiDxwPSFfs
InChI InChI=1S/C16H11ClFN3O2/c1-23-16(22)15-19-14(10-2-4-11(17)5-3-10)20-21(15)13-8-6-12(18)7-9-13/h2-9H,1H3
InChIKey ODUGEOODYHNJBQ-UHFFFAOYSA-N
Mol Weight 331.73 g/mol
Molecular Formula C16H11ClFN3O2
Exact Mass 331.052382 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 610k9ys48c6
Name Methyl 3-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-1,2,4-triazole-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11ClFN3O2
InChI InChI=1S/C16H11ClFN3O2/c1-23-16(22)15-19-14(10-2-4-11(17)5-3-10)20-21(15)13-8-6-12(18)7-9-13/h2-9H,1H3
InChIKey ODUGEOODYHNJBQ-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.tet.2015.04.078
Molecular Weight 331.734 g/mol
SMILES c1(-[n]2c(C(OC)=O)nc(-c3ccc(Cl)cc3)n2)ccc(F)cc1
SPLASH splash10-0a4i-9431000000-687e94869f9a407ce274
Source of Spectrum F-71-4288-6a
Wiley ID 1805824