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Methyl 5-(4-chlorophenyl)-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxylate
SpectraBase Compound ID AZChLs7ENdv
InChI InChI=1S/C16H11ClN4O4/c1-25-16(22)14-18-15(10-2-4-11(17)5-3-10)20(19-14)12-6-8-13(9-7-12)21(23)24/h2-9H,1H3
InChIKey JWUIYMHCFAUXFR-UHFFFAOYSA-N
Mol Weight 358.74 g/mol
Molecular Formula C16H11ClN4O4
Exact Mass 358.046883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1qljN71iKm
Name Methyl 5-(4-chlorophenyl)-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11ClN4O4
InChI InChI=1S/C16H11ClN4O4/c1-25-16(22)14-18-15(10-2-4-11(17)5-3-10)20(19-14)12-6-8-13(9-7-12)21(23)24/h2-9H,1H3
InChIKey JWUIYMHCFAUXFR-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.tet.2015.04.078
Molecular Weight 358.741 g/mol
SMILES c1(n[n](c(n1)-c1ccc(cc1)Cl)-c1ccc(cc1)[N+]([O-])=O)C(OC)=O
SPLASH splash10-0a4i-9124000000-ff5ee843bbaeac538d46
Source of Spectrum F-71-4292-5r
Wiley ID 1805823