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tert-Butyl 3-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-1,2,4-triazole-5-carboxylate
SpectraBase Compound ID DHqfROprMtW
InChI InChI=1S/C19H17ClFN3O2/c1-19(2,3)26-18(25)17-22-16(12-4-6-13(20)7-5-12)23-24(17)15-10-8-14(21)9-11-15/h4-11H,1-3H3
InChIKey KMDXYYAFLZOYQL-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 Efm9gZ65XdK
Name tert-Butyl 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 C19H17ClFN3O2
InChI InChI=1S/C19H17ClFN3O2/c1-19(2,3)26-18(25)17-22-16(12-4-6-13(20)7-5-12)23-24(17)15-10-8-14(21)9-11-15/h4-11H,1-3H3
InChIKey KMDXYYAFLZOYQL-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.tet.2015.04.078
Molecular Weight 373.815 g/mol
SMILES c1(n[n](c(n1)C(OC(C)(C)C)=O)-c1ccc(cc1)F)-c1ccc(cc1)Cl
SPLASH splash10-0ab9-3932000000-a8bf167ab018acd8b621
Source of Spectrum F-71-4289-6c
Wiley ID 1805825