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Ethyl 2,3,5,6-tetrafluoro-4-(4-[(2-formylphenoxy)methyl]-1H-1,2,3-triazol-1-yl)benzoate

View entire compound with spectra: 1 MS (GC)

Ethyl 2,3,5,6-tetrafluoro-4-(4-[(2-formylphenoxy)methyl]-1H-1,2,3-triazol-1-yl)benzoate
SpectraBase Compound ID IbuCtiiSW2g
InChI InChI=1S/C19H13F4N3O4/c1-2-29-19(28)13-14(20)16(22)18(17(23)15(13)21)26-7-11(24-25-26)9-30-12-6-4-3-5-10(12)8-27/h3-8H,2,9H2,1H3
InChIKey RVVPYGOSBURUBN-UHFFFAOYSA-N
Mol Weight 423.32 g/mol
Molecular Formula C19H13F4N3O4
Exact Mass 423.084219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MjmCEs2tzz
Name Ethyl 2,3,5,6-tetrafluoro-4-(4-[(2-formylphenoxy)methyl]-1H-1,2,3-triazol-1-yl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H13F4N3O4
InChI InChI=1S/C19H13F4N3O4/c1-2-29-19(28)13-14(20)16(22)18(17(23)15(13)21)26-7-11(24-25-26)9-30-12-6-4-3-5-10(12)8-27/h3-8H,2,9H2,1H3
InChIKey RVVPYGOSBURUBN-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.jfluchem.2016.05.005
Molecular Weight 423.324 g/mol
SMILES C(c1c(c(c(c(c1F)F)-[n]1nnc(c1)COc1c(cccc1)C=O)F)F)(=O)OCC
SPLASH splash10-00fs-3590000000-32486acf7f8a7a26fbc8
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-((2-formylphenoxy)methyl)-1H-1,2,3-triazol-1-yl)benzoate
Wiley ID 1816054