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Methyl 3-(4-chlorophenyl)-1-(4-(4-fluorophenoxy)phenyl)-1H-1,2,4-triazole-5-carboxylate
SpectraBase Compound ID 9sEFaX8CZ4T
InChI InChI=1S/C22H15ClFN3O3/c1-29-22(28)21-25-20(14-2-4-15(23)5-3-14)26-27(21)17-8-12-19(13-9-17)30-18-10-6-16(24)7-11-18/h2-13H,1H3
InChIKey QWZUJOIBEZLZMP-UHFFFAOYSA-N
Mol Weight 423.83 g/mol
Molecular Formula C22H15ClFN3O3
Exact Mass 423.078597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2QlxiNaE76
Name Methyl 3-(4-chlorophenyl)-1-(4-(4-fluorophenoxy)phenyl)-1H-1,2,4-triazole-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15ClFN3O3
InChI InChI=1S/C22H15ClFN3O3/c1-29-22(28)21-25-20(14-2-4-15(23)5-3-14)26-27(21)17-8-12-19(13-9-17)30-18-10-6-16(24)7-11-18/h2-13H,1H3
InChIKey QWZUJOIBEZLZMP-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.tet.2015.04.078
Molecular Weight 423.831 g/mol
SMILES c1(n[n](c(n1)C(OC)=O)-c1ccc(cc1)Oc1ccc(cc1)F)-c1ccc(cc1)Cl
SPLASH splash10-0uk9-3060900000-d902ba38fe403250fa5f
Source of Spectrum F-71-4292-6q
Wiley ID 1805827