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{1-[4-(ethoxycarbonyl)-2,3,5,6-tetrafluorophenyl]-1H-1,2,3-triazol-4-yl}methyl pentafluorobenzoate
SpectraBase Compound ID KAfh6NfZymk
InChI InChI=1S/C19H8F9N3O4/c1-2-34-18(32)7-10(22)15(27)17(16(28)11(7)23)31-3-5(29-30-31)4-35-19(33)6-8(20)12(24)14(26)13(25)9(6)21/h3H,2,4H2,1H3
InChIKey NXKJJHGMSNQYOB-UHFFFAOYSA-N
Mol Weight 513.28 g/mol
Molecular Formula C19H8F9N3O4
Exact Mass 513.037109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Vk6yJMrGwN
Name {1-[4-(ethoxycarbonyl)-2,3,5,6-tetrafluorophenyl]-1H-1,2,3-triazol-4-yl}methyl pentafluorobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H8F9N3O4
InChI InChI=1S/C19H8F9N3O4/c1-2-34-18(32)7-10(22)15(27)17(16(28)11(7)23)31-3-5(29-30-31)4-35-19(33)6-8(20)12(24)14(26)13(25)9(6)21/h3H,2,4H2,1H3
InChIKey NXKJJHGMSNQYOB-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.jfluchem.2016.05.005
Molecular Weight 513.276 g/mol
SMILES C(c1c(c(c(c(c1F)F)F)F)F)(=O)OCc1nn[n](c1)-c1c(c(c(c(c1F)F)C(=O)OCC)F)F
SPLASH splash10-0002-2930000000-372641ec53d96ca94c83
Source of Spectrum Nikolai N. Solodukhin, et al. FLUOR, doi:10.1016/j.jfluchem.2016.05.005
Synonyms (1-(4-(ethoxycarbonyl)-2,3,5,6-tetrafluorophenyl)-1H-1,2,3-triazol-4-yl)methyl 2,3,4,5,6-pentafluorobenzoate
Wiley ID 1816057