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4-(2,2-dibromo-2-fluoro-1-hydroxyethyl)benzonitrile
SpectraBase Compound ID C9N11OpxOFT
InChI InChI=1S/C9H6Br2FNO/c10-9(11,12)8(14)7-3-1-6(5-13)2-4-7/h1-4,8,14H
InChIKey SYOALULLNSBZQE-UHFFFAOYSA-N
Mol Weight 322.96 g/mol
Molecular Formula C9H6Br2FNO
Exact Mass 320.880018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GEKe1mapCat
Name 4-(2,2-dibromo-2-fluoro-1-hydroxyethyl)benzonitrile
Alternate Name(s) 4-[2,2-bis(bromanyl)-2-fluoranyl-1-oxidanyl-ethyl]benzenecarbonitrile
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Formula C9H6Br2FNO
InChI InChI=1S/C9H6Br2FNO/c10-9(11,12)8(14)7-3-1-6(5-13)2-4-7/h1-4,8,14H
InChIKey SYOALULLNSBZQE-UHFFFAOYSA-N
Molecular Weight 322.959 g/mol
SMILES OC(C(F)(Br)Br)c1ccc(C#N)cc1
SPLASH splash10-001i-0900000000-1f9dd05f5fa5b7ecef43
Source of Spectrum AJ-71-2910-3
Wiley ID 774815