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5-[1,1-Difluoro-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID DZnYGq1w9wS
InChI InChI=1S/C20H19F2N3O4/c1-3-29-19(27)16-17(25(24-23-16)14-7-5-4-6-8-14)20(21,22)18(26)13-9-11-15(28-2)12-10-13/h4-12,18,26H,3H2,1-2H3
InChIKey VZXZZADLSSUFDA-UHFFFAOYSA-N
Mol Weight 403.39 g/mol
Molecular Formula C20H19F2N3O4
Exact Mass 403.134362 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3042VLlZnkT
Name 5-[1,1-Difluoro-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
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Formula C20H19F2N3O4
InChI InChI=1S/C20H19F2N3O4/c1-3-29-19(27)16-17(25(24-23-16)14-7-5-4-6-8-14)20(21,22)18(26)13-9-11-15(28-2)12-10-13/h4-12,18,26H,3H2,1-2H3
InChIKey VZXZZADLSSUFDA-UHFFFAOYSA-N
Molecular Weight 403.386 g/mol
SMILES OC(C(c1c(nn[n]1-c1ccccc1)C(=O)OCC)(F)F)c1ccc(cc1)OC
SPLASH splash10-066r-3913000000-a7d432b2d7e807a5e5ec
Source of Spectrum F-59-4402-8c
Wiley ID 1678209