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tert-Butyl 5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-1,2,4-triazole-3-carboxylate
SpectraBase Compound ID 5oACa0nOpA4
InChI InChI=1S/C19H17ClFN3O2/c1-19(2,3)26-18(25)16-22-17(12-4-6-13(20)7-5-12)24(23-16)15-10-8-14(21)9-11-15/h4-11H,1-3H3
InChIKey CBXFMTSXGZHFRV-UHFFFAOYSA-N
Mol Weight 373.82 g/mol
Molecular Formula C19H17ClFN3O2
Exact Mass 373.099333 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EjUGMK2DIRU
Name tert-Butyl 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 C19H17ClFN3O2
InChI InChI=1S/C19H17ClFN3O2/c1-19(2,3)26-18(25)16-22-17(12-4-6-13(20)7-5-12)24(23-16)15-10-8-14(21)9-11-15/h4-11H,1-3H3
InChIKey CBXFMTSXGZHFRV-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.tet.2015.04.078
Molecular Weight 373.815 g/mol
SMILES c1(n[n](c(n1)-c1ccc(cc1)Cl)-c1ccc(cc1)F)C(OC(C)(C)C)=O
SPLASH splash10-0aor-9808000000-6f25e540bc9ed25f9b80
Source of Spectrum F-71-4289-5c
Wiley ID 1805820