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1H-Pyrazole,4-bromo-3-(heptafluoropropyl)-1-methyl-5-phenyl-
SpectraBase Compound ID 6bMPvcIgw8G
InChI InChI=1S/C13H8BrF7N2/c1-23-9(7-5-3-2-4-6-7)8(14)10(22-23)11(15,16)12(17,18)13(19,20)21/h2-6H,1H3
InChIKey DQNNCIGYMIJNCL-UHFFFAOYSA-N
Mol Weight 405.11 g/mol
Molecular Formula C13H8BrF7N2
Exact Mass 403.975908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IEYeC5o8WzZ
Name 1H-Pyrazole,4-bromo-3-(heptafluoropropyl)-1-methyl-5-phenyl-
CAS Registry Number 82633-55-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8BrF7N2
InChI InChI=1S/C13H8BrF7N2/c1-23-9(7-5-3-2-4-6-7)8(14)10(22-23)11(15,16)12(17,18)13(19,20)21/h2-6H,1H3
InChIKey DQNNCIGYMIJNCL-UHFFFAOYSA-N
Molecular Weight 405.114 g/mol
SMILES c1(C(C(C(F)(F)F)(F)F)(F)F)c(c(-c2ccccc2)[n](n1)C)Br
SPLASH splash10-000i-0090700000-a71296c1b85045ca259c
Source of Spectrum AC-1982-94-0
Synonyms 1-Methyl-3-heptafluoropropyl-4-bromo-5-phenylpyrazole 4-Bromo-1-methyl-3-perfluoropropyl-5-phenyl-pyrazole 4-Bromo-3-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methyl-5-phenyl-1H-pyrazole
Wiley ID 1371018