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5-(.omega.Chlorohexafluoropropyl)-3-phenylpyrazole
SpectraBase Compound ID 1kpO2nDPplM
InChI InChI=1S/C12H7ClF6N2/c13-12(18,19)11(16,17)10(14,15)9-6-8(20-21-9)7-4-2-1-3-5-7/h1-6H,(H,20,21)
InChIKey NWTFGDNGBDXJDI-UHFFFAOYSA-N
Mol Weight 328.65 g/mol
Molecular Formula C12H7ClF6N2
Exact Mass 328.020195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AziBxFL2OxO
Name 5-(.omega.Chlorohexafluoropropyl)-3-phenylpyrazole
Alternate Name(s) 5-(3-Chloro-1,1,2,2,3,3-hexafluoropropyl)-3-phenyl-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7ClF6N2
InChI InChI=1S/C12H7ClF6N2/c13-12(18,19)11(16,17)10(14,15)9-6-8(20-21-9)7-4-2-1-3-5-7/h1-6H,(H,20,21)
InChIKey NWTFGDNGBDXJDI-UHFFFAOYSA-N
Molecular Weight 328.645 g/mol
SMILES [nH]1nc(cc1C(C(C(Cl)(F)F)(F)F)(F)F)-c1ccccc1
SPLASH splash10-002f-0906000000-ceb35261f1b110db6d1c
Source of Spectrum SO-0-1492-7
Wiley ID 875131