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3-(3',5'-Difluorophenyl)-1-(2",3",5",6'-tetrafluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID Kmt5fYpsa6r
InChI InChI=1S/C21H12F6N2/c22-13-6-12(7-14(23)8-13)16-10-17(11-4-2-1-3-5-11)29(28-16)18-9-15(24)19(25)21(27)20(18)26/h1-9,17H,10H2
InChIKey HWBPGDIJNHIOTI-UHFFFAOYSA-N
Mol Weight 406.33 g/mol
Molecular Formula C21H12F6N2
Exact Mass 406.090467 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1jxZ0wGG54Q
Name 3-(3',5'-Difluorophenyl)-1-(2",3",5",6'-tetrafluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H12F6N2
InChI InChI=1S/C21H12F6N2/c22-13-6-12(7-14(23)8-13)16-10-17(11-4-2-1-3-5-11)29(28-16)18-9-15(24)19(25)21(27)20(18)26/h1-9,17H,10H2
InChIKey HWBPGDIJNHIOTI-UHFFFAOYSA-N
Molecular Weight 406.331 g/mol
SMILES c1(N2N=C(c3cc(F)cc(c3)F)CC2c2ccccc2)c(c(c(F)c(c1)F)F)F
SPLASH splash10-0a4i-0221900000-c29d08e7d7cfa8a912b4
Source of Spectrum F5-7-1545-7i
Wiley ID 1696477