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2-[N-(2-phenyl-5-perfluoropropyl-2H-pyrazol-3-yl)amino]benzoic acid
SpectraBase Compound ID Ez525bbT7O3
InChI InChI=1S/C19H12F7N3O2/c20-17(21,18(22,23)19(24,25)26)14-10-15(29(28-14)11-6-2-1-3-7-11)27-13-9-5-4-8-12(13)16(30)31/h1-10,27H,(H,30,31)
InChIKey GBYSYHQBDJZYAT-UHFFFAOYSA-N
Mol Weight 447.31 g/mol
Molecular Formula C19H12F7N3O2
Exact Mass 447.081774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KoEeUIYPwXT
Name 2-[N-(2-phenyl-5-perfluoropropyl-2H-pyrazol-3-yl)amino]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H12F7N3O2
InChI InChI=1S/C19H12F7N3O2/c20-17(21,18(22,23)19(24,25)26)14-10-15(29(28-14)11-6-2-1-3-7-11)27-13-9-5-4-8-12(13)16(30)31/h1-10,27H,(H,30,31)
InChIKey GBYSYHQBDJZYAT-UHFFFAOYSA-N
Molecular Weight 447.313 g/mol
SMILES N(c1cc(C(C(C(F)(F)F)(F)F)(F)F)n[n]1-c1ccccc1)c1c(C(=O)O)cccc1
SPLASH splash10-01ta-0011900000-3418d0fa542a6006d669
Source of Spectrum F-60-2900-7b
Wiley ID 1678381