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1-(2-Bromo-5-fluorophenyl)adamantane
SpectraBase Compound ID A9ISmzUztZn
InChI InChI=1S/C16H18BrF/c17-15-2-1-13(18)6-14(15)16-7-10-3-11(8-16)5-12(4-10)9-16/h1-2,6,10-12H,3-5,7-9H2
InChIKey BIHZRBZPUICUMW-UHFFFAOYSA-N
Mol Weight 309.22 g/mol
Molecular Formula C16H18BrF
Exact Mass 308.057592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6qZyOcEYAGa
Name 1-(2-Bromo-5-fluorophenyl)adamantane
Appearance White crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18BrF
InChI InChI=1S/C16H18BrF/c17-15-2-1-13(18)6-14(15)16-7-10-3-11(8-16)5-12(4-10)9-16/h1-2,6,10-12H,3-5,7-9H2
InChIKey BIHZRBZPUICUMW-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.202001326
Molecular Weight 309.222 g/mol
Reported Formula C16H18(79)BrF
SMILES c1(ccc(c(c1)C12CC3CC(CC(C3)C1)C2)Br)F
SPLASH splash10-074u-4923000000-f7db2294b1319a9a86f3
Source of Spectrum ACI-59-SM14-11b
Thin-Layer Chromatography Rf = 0.70 (hexane)
Wiley ID 1857867