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Methyl 3-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-1H-1,2,4-triazole-5-carboxylate
SpectraBase Compound ID 7ESfb4mE4ah
InChI InChI=1S/C18H16FN3O4/c1-24-14-9-4-11(10-15(14)25-2)16-20-17(18(23)26-3)22(21-16)13-7-5-12(19)6-8-13/h4-10H,1-3H3
InChIKey IYWBAKSTKYJWPK-UHFFFAOYSA-N
Mol Weight 357.34 g/mol
Molecular Formula C18H16FN3O4
Exact Mass 357.112484 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 94byAreEtqm
Name Methyl 3-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-1H-1,2,4-triazole-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16FN3O4
InChI InChI=1S/C18H16FN3O4/c1-24-14-9-4-11(10-15(14)25-2)16-20-17(18(23)26-3)22(21-16)13-7-5-12(19)6-8-13/h4-10H,1-3H3
InChIKey IYWBAKSTKYJWPK-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.tet.2015.04.078
Molecular Weight 357.341 g/mol
SMILES c1(n[n](c(n1)C(OC)=O)-c1ccc(cc1)F)-c1cc(c(cc1)OC)OC
SPLASH splash10-0a4i-0109000000-7344a22a90af00b67fcb
Source of Spectrum F-71-4290-6g
Wiley ID 1805826