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2,3,4,5,6-Pentafluorophenyl 4-Cyanobenzoate
SpectraBase Compound ID JrEEIyW4vJ1
InChI InChI=1S/C14H4F5NO2/c15-8-9(16)11(18)13(12(19)10(8)17)22-14(21)7-3-1-6(5-20)2-4-7/h1-4H
InChIKey HGOUWRVZUVEJLY-UHFFFAOYSA-N
Mol Weight 313.18 g/mol
Molecular Formula C14H4F5NO2
Exact Mass 313.016219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFp1fDTWdzW
Name 2,3,4,5,6-Pentafluorophenyl 4-Cyanobenzoate
Alternate Name(s) Perfluorophenyl 4-cyanobenzoate (2,3,4,5,6-pentafluorophenyl) 4-cyanobenzoate [2,3,4,5,6-pentakis(fluoranyl)phenyl] 4-cyanobenzoate
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Formula C14H4F5NO2
InChI InChI=1S/C14H4F5NO2/c15-8-9(16)11(18)13(12(19)10(8)17)22-14(21)7-3-1-6(5-20)2-4-7/h1-4H
InChIKey HGOUWRVZUVEJLY-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo3012573
Molecular Weight 313.183 g/mol
SMILES c1(ccc(cc1)C#N)C(=O)Oc1c(c(c(c(F)c1F)F)F)F
SPLASH splash10-0f89-0900000000-26afb7b65886579f272c
Source of Spectrum J-77-8347-3cb
Wiley ID 1745233