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1H-Pyrazole, 4-bromo-5-(1,1-dimethylethyl)-3-(pentadecafluoroheptyl)-1-phenyl-
SpectraBase Compound ID JkziWTZqOBj
InChI InChI=1S/C20H14BrF15N2/c1-13(2,3)12-10(21)11(37-38(12)9-7-5-4-6-8-9)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)36/h4-8H,1-3H3
InChIKey UVZAKPMZKRENJF-UHFFFAOYSA-N
Mol Weight 647.23 g/mol
Molecular Formula C20H14BrF15N2
Exact Mass 646.010084 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KGn1AZH5u1
Name 1H-Pyrazole, 4-bromo-5-(1,1-dimethylethyl)-3-(pentadecafluoroheptyl)-1-phenyl-
CAS Registry Number 82633-64-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14BrF15N2
InChI InChI=1S/C20H14BrF15N2/c1-13(2,3)12-10(21)11(37-38(12)9-7-5-4-6-8-9)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)36/h4-8H,1-3H3
InChIKey UVZAKPMZKRENJF-UHFFFAOYSA-N
Molecular Weight 647.226 g/mol
SMILES c1(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c(c(C(C)(C)C)[n](n1)-c1ccccc1)Br
SPLASH splash10-001i-1000009000-b371689cb5f2fb2e8adc
Source of Spectrum AC-1982-94-0
Synonyms 1-Phenyl-3-perfluoroheptyl-4-bromo-5-tert-butylpyrazole 4-Bromo-1-phenyl-3-perfluoroheptyl-5-(t-butyl)-pyrazole 4-Bromo-5-tert-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1-phenyl-1H-pyrazole
Wiley ID 1412891