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2-[N-(2-phenyl-5-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-2H-pyrazol-3-yl)amino]-4-chlorobenzoic acid

View entire compound with spectra: 1 MS (GC)

2-[N-(2-phenyl-5-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-2H-pyrazol-3-yl)amino]-4-chlorobenzoic acid
SpectraBase Compound ID 9QiGZKhonAG
InChI InChI=1S/C19H12ClF6N3O2/c20-19(25,26)18(23,24)17(21,22)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 ORWPNMIVSKYCQH-UHFFFAOYSA-N
Mol Weight 463.77 g/mol
Molecular Formula C19H12ClF6N3O2
Exact Mass 463.052223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K3ii1qTTBRq
Name 2-[N-(2-phenyl-5-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-2H-pyrazol-3-yl)amino]-4-chlorobenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H12ClF6N3O2
InChI InChI=1S/C19H12ClF6N3O2/c20-19(25,26)18(23,24)17(21,22)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 ORWPNMIVSKYCQH-UHFFFAOYSA-N
Molecular Weight 463.767 g/mol
SMILES N(c1cc(C(C(C(F)(Cl)F)(F)F)(F)F)n[n]1-c1ccccc1)c1c(C(=O)O)cccc1
SPLASH splash10-03dj-0011900000-f9ce480f76a8a022f000
Source of Spectrum F-60-2900-7c
Wiley ID 1678380