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3-Bromo-5-(sec-butyl)pyridine
SpectraBase Compound ID JqfWUMdUdHb
InChI InChI=1S/C9H12BrN/c1-3-7(2)8-4-9(10)6-11-5-8/h4-7H,3H2,1-2H3
InChIKey LUUWWAWGSOQQHY-UHFFFAOYSA-N
Mol Weight 214.11 g/mol
Molecular Formula C9H12BrN
Exact Mass 213.015312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cZaVy9dl3
Name 3-Bromo-5-(sec-butyl)pyridine
Appearance Yellow oil
Carrier Gas Helium
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Exact Mass 213.015312390 u
Formula C9H12BrN
GC Oven Program Oven temp 300oC
InChI InChI=1S/C9H12BrN/c1-3-7(2)8-4-9(10)6-11-5-8/h4-7H,3H2,1-2H3
InChIKey LUUWWAWGSOQQHY-UHFFFAOYSA-N
Inlet Type Split injector
Instrument Name Aligent Technologies 7890A(G3440A) GC-5975C inert mass sensitive detector
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101280
Molecular Weight 214.106 g/mol
SMILES C=1(Br)C=NC=C(C1)C(CC)C
SPLASH splash10-0udi-0960000000-ac83b8c38a8543868e25
Source of Spectrum K1-2022-SM7-5 (DOI: 10.1002/ejoc.202101280)
Thin-Layer Chromatography 0.30 (cyclohexane/EtOAc, 9:1)
Wiley ID 1898599