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2-[N-(2-phenyl-5-trifluoromethyl-2H-pyrazol-3-yl)amino]-4-chlorobenzoic acid
SpectraBase Compound ID 8m7fzo1KIzs
InChI InChI=1S/C17H11ClF3N3O2/c18-10-6-7-12(16(25)26)13(8-10)22-15-9-14(17(19,20)21)23-24(15)11-4-2-1-3-5-11/h1-9,22H,(H,25,26)
InChIKey WNXLRHGXDBSFTC-UHFFFAOYSA-N
Mol Weight 381.74 g/mol
Molecular Formula C17H11ClF3N3O2
Exact Mass 381.049189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAuvIXGhRGm
Name 2-[N-(2-phenyl-5-trifluoromethyl-2H-pyrazol-3-yl)amino]-4-chlorobenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11ClF3N3O2
InChI InChI=1S/C17H11ClF3N3O2/c18-10-6-7-12(16(25)26)13(8-10)22-15-9-14(17(19,20)21)23-24(15)11-4-2-1-3-5-11/h1-9,22H,(H,25,26)
InChIKey WNXLRHGXDBSFTC-UHFFFAOYSA-N
Molecular Weight 381.742 g/mol
SMILES N(c1c(C(=O)O)ccc(c1)Cl)c1[n](nc(c1)C(F)(F)F)-c1ccccc1
SPLASH splash10-03e9-0009000000-df4e49fc5bfb370ba658
Source of Spectrum F-60-2901-7g
Wiley ID 1712283