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Ethyl 2,3,5,6-tetrafluoro-4-(4-pentyl-1H-1,2,3-triazol-1-yl)benzoate
SpectraBase Compound ID 8U22k2oiaUU
InChI InChI=1S/C16H17F4N3O2/c1-3-5-6-7-9-8-23(22-21-9)15-13(19)11(17)10(12(18)14(15)20)16(24)25-4-2/h8H,3-7H2,1-2H3
InChIKey MHTZOWDSIWBJEG-UHFFFAOYSA-N
Mol Weight 359.32 g/mol
Molecular Formula C16H17F4N3O2
Exact Mass 359.125689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29WExU0GEBt
Name Ethyl 2,3,5,6-tetrafluoro-4-(4-pentyl-1H-1,2,3-triazol-1-yl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17F4N3O2
InChI InChI=1S/C16H17F4N3O2/c1-3-5-6-7-9-8-23(22-21-9)15-13(19)11(17)10(12(18)14(15)20)16(24)25-4-2/h8H,3-7H2,1-2H3
InChIKey MHTZOWDSIWBJEG-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.jfluchem.2016.05.005
Molecular Weight 359.325 g/mol
SMILES C(c1c(c(c(c(c1F)F)-[n]1nnc(c1)CCCCC)F)F)(=O)OCC
SPLASH splash10-00bd-4390000000-163a0edbddaacdb495c1
Source of Spectrum Nikolai N. Solodukhin, et al. FLUOR, doi:10.1016/j.jfluchem.2016.05.005
Wiley ID 1816053