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Methyl 5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-1,2,4-triazole-3-carboxylate
SpectraBase Compound ID 27dBMFYcVVw
InChI InChI=1S/C16H11ClFN3O2/c1-23-16(22)14-19-15(10-2-4-11(17)5-3-10)21(20-14)13-8-6-12(18)7-9-13/h2-9H,1H3
InChIKey YEGKAPZROYTKRX-UHFFFAOYSA-N
Mol Weight 331.73 g/mol
Molecular Formula C16H11ClFN3O2
Exact Mass 331.052382 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VqTs4y348P
Name Methyl 5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-1,2,4-triazole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11ClFN3O2
InChI InChI=1S/C16H11ClFN3O2/c1-23-16(22)14-19-15(10-2-4-11(17)5-3-10)21(20-14)13-8-6-12(18)7-9-13/h2-9H,1H3
InChIKey YEGKAPZROYTKRX-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.tet.2015.04.078
Molecular Weight 331.734 g/mol
SMILES c1(-[n]2c(-c3ccc(Cl)cc3)nc(C(OC)=O)n2)ccc(F)cc1
SPLASH splash10-0a59-0904000000-83cfba306b6c639cef50
Source of Spectrum F-71-4288-5a
Wiley ID 1805819