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2-[N-(2-phenyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyrazol-3-yl)amino]-4-chlorobenzoic acid
SpectraBase Compound ID Ifo5NkdEjBV
InChI InChI=1S/C19H11ClF7N3O2/c20-10-6-7-12(16(31)32)13(8-10)28-15-9-14(17(21,22)18(23,24)19(25,26)27)29-30(15)11-4-2-1-3-5-11/h1-9,28H,(H,31,32)
InChIKey HBMLXJHASADFAM-UHFFFAOYSA-N
Mol Weight 481.76 g/mol
Molecular Formula C19H11ClF7N3O2
Exact Mass 481.042801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2IWMeqg3ZA
Name 2-[N-(2-phenyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyrazol-3-yl)amino]-4-chlorobenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H11ClF7N3O2
InChI InChI=1S/C19H11ClF7N3O2/c20-10-6-7-12(16(31)32)13(8-10)28-15-9-14(17(21,22)18(23,24)19(25,26)27)29-30(15)11-4-2-1-3-5-11/h1-9,28H,(H,31,32)
InChIKey HBMLXJHASADFAM-UHFFFAOYSA-N
Molecular Weight 481.758 g/mol
SMILES N(c1c(C(=O)O)ccc(c1)Cl)c1cc(C(C(C(F)(F)F)(F)F)(F)F)n[n]1-c1ccccc1
SPLASH splash10-03ec-0011900000-47ca95994d545a81a419
Source of Spectrum F-60-2901-7e
Wiley ID 1678379