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(1R,2R,4R)-4-bromanyl-2-(6-chloranylpyridin-3-yl)cyclohexan-1-amine
SpectraBase Compound ID 2468j5n0h5D
InChI InChI=1S/C11H14BrClN2/c12-8-2-3-10(14)9(5-8)7-1-4-11(13)15-6-7/h1,4,6,8-10H,2-3,5,14H2/t8-,9-,10-/m1/s1
InChIKey IFAGJBSOARXZIS-OPRDCNLKSA-N
Mol Weight 289.6 g/mol
Molecular Formula C11H14BrClN2
Exact Mass 288.002889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jdgt9izTGaG
Name (1R,2R,4R)-4-bromanyl-2-(6-chloranylpyridin-3-yl)cyclohexan-1-amine
Comments Less than 3 mono-isotopic peaks
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Formula C11H14BrClN2
InChI InChI=1S/C11H14BrClN2/c12-8-2-3-10(14)9(5-8)7-1-4-11(13)15-6-7/h1,4,6,8-10H,2-3,5,14H2/t8-,9-,10-/m1/s1
InChIKey IFAGJBSOARXZIS-OPRDCNLKSA-N
Molecular Weight 289.604 g/mol
SMILES N[C@]1([C@@](c2cnc(cc2)Cl)(C[C@@](CC1)(Br)[H])[H])[H]
SPLASH splash10-014i-9000000000-b92705405ba0f371f920
Source of Spectrum J-63-8406-31
Synonyms (1R,2R,4R)-4-bromo-2-(6-chloro-3-pyridinyl)-1-cyclohexanamine (1R,2R,4R)-4-bromo-2-(6-chloro-3-pyridyl)cyclohexanamine (1R,2R,4R)-4-bromo-2-(6-chloropyridin-3-yl)cyclohexan-1-amine [(1R,2R,4R)-4-bromo-2-(6-chloro-3-pyridyl)cyclohexyl]amine
Wiley ID 1291251