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4-(2,3,5,6-tetrafluoro-4-pentyl-phenyl)benzonitrile
SpectraBase Compound ID 2kRa8xMtaC8
InChI InChI=1S/C18H15F4N/c1-2-3-4-5-13-15(19)17(21)14(18(22)16(13)20)12-8-6-11(10-23)7-9-12/h6-9H,2-5H2,1H3
InChIKey TXTWGBFSLPIKAQ-UHFFFAOYSA-N
Mol Weight 321.32 g/mol
Molecular Formula C18H15F4N
Exact Mass 321.114062 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXG7EepZluA
Name 4-(2,3,5,6-tetrafluoro-4-pentyl-phenyl)benzonitrile
Alternate Name(s) 4-(4-amyl-2,3,5,6-tetrafluoro-phenyl)benzonitrile 4-[2,3,5,6-tetrakis(fluoranyl)-4-pentyl-phenyl]benzenecarbonitrile
CAS Registry Number 131894-96-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15F4N
InChI InChI=1S/C18H15F4N/c1-2-3-4-5-13-15(19)17(21)14(18(22)16(13)20)12-8-6-11(10-23)7-9-12/h6-9H,2-5H2,1H3
InChIKey TXTWGBFSLPIKAQ-UHFFFAOYSA-N
Molecular Weight 321.319 g/mol
SMILES c1(c(c(F)c(c(c1F)F)CCCCC)F)-c1ccc(C#N)cc1
SPLASH splash10-05fu-9077000000-296f1a160747a1cd024a
Source of Spectrum F-46-7066-5
Wiley ID 1320917