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Ethyl 2,3,5,6-tetrafluoro-4-(4-{[4-(hydroxymethyl)phenoxy]methyl}-1H-1,2,3-triazol-1-yl)benzoate

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Ethyl 2,3,5,6-tetrafluoro-4-(4-{[4-(hydroxymethyl)phenoxy]methyl}-1H-1,2,3-triazol-1-yl)benzoate
SpectraBase Compound ID 75NIHcaiKq8
InChI InChI=1S/C19H15F4N3O4/c1-2-29-19(28)13-14(20)16(22)18(17(23)15(13)21)26-7-11(24-25-26)9-30-12-5-3-10(8-27)4-6-12/h3-7,27H,2,8-9H2,1H3
InChIKey VXOTWODUPKVGKS-UHFFFAOYSA-N
Mol Weight 425.34 g/mol
Molecular Formula C19H15F4N3O4
Exact Mass 425.099869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KuABqifSuzi
Name Ethyl 2,3,5,6-tetrafluoro-4-(4-{[4-(hydroxymethyl)phenoxy]methyl}-1H-1,2,3-triazol-1-yl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15F4N3O4
InChI InChI=1S/C19H15F4N3O4/c1-2-29-19(28)13-14(20)16(22)18(17(23)15(13)21)26-7-11(24-25-26)9-30-12-5-3-10(8-27)4-6-12/h3-7,27H,2,8-9H2,1H3
InChIKey VXOTWODUPKVGKS-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.jfluchem.2016.05.005
Molecular Weight 425.340 g/mol
SMILES OCc1ccc(cc1)OCc1nn[n](c1)-c1c(c(c(C(=O)OCC)c(c1F)F)F)F
SPLASH splash10-00fr-4960000000-72bca01e602aafee91fa
Source of Spectrum Nikolai N. Solodukhin, et al. FLUOR, doi:10.1016/j.jfluchem.2016.05.005
Synonyms Ethyl 2,3,5,6-tetrafluoro-4-(4-((4-(hydroxymethyl)phenoxy)methyl)-1H-1,2,3-triazol-1-yl)benzoate
Wiley ID 1816056