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2-Endo-Nitro-3-exo-(2'-chloro-5'-pyridyl)-7-methyl-7-azabicyclo[2.2.1]heptane

View entire compound with spectra: 1 MS (GC)

2-Endo-Nitro-3-exo-(2'-chloro-5'-pyridyl)-7-methyl-7-azabicyclo[2.2.1]heptane
SpectraBase Compound ID Cj90biFCbTi
InChI InChI=1S/C12H14ClN3O2/c1-15-8-3-4-9(15)12(16(17)18)11(8)7-2-5-10(13)14-6-7/h2,5-6,8-9,11-12H,3-4H2,1H3/t8-,9+,11-,12-/m1/s1
InChIKey BZDHCICYWQPTSB-RBLKWDMZSA-N
Mol Weight 267.72 g/mol
Molecular Formula C12H14ClN3O2
Exact Mass 267.077454 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0boy2FPhA0
Name 2-Endo-Nitro-3-exo-(2'-chloro-5'-pyridyl)-7-methyl-7-azabicyclo[2.2.1]heptane
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Formula C12H14ClN3O2
InChI InChI=1S/C12H14ClN3O2/c1-15-8-3-4-9(15)12(16(17)18)11(8)7-2-5-10(13)14-6-7/h2,5-6,8-9,11-12H,3-4H2,1H3/t8-,9+,11-,12-/m1/s1
InChIKey BZDHCICYWQPTSB-RBLKWDMZSA-N
Literature Reference DOI 10.1002_(SICI)1521-3897(199907)341_5_455
Molecular Weight 267.716 g/mol
SMILES C1C[C@]2(N([C@@]1([C@]([C@@]2(c1cnc(cc1)Cl)[H])([N+](=O)[O-])[H])[H])C)[H]
SPLASH splash10-00di-0090000000-daf0f181c8959b6fcd99
Source of Spectrum JF-341-459-4b
Synonyms (1R,2R,3S,4R)-2-(6-chloropyridin-3-yl)-7-methyl-3-nitro-7-azabicyclo[2.2.1]heptane
Wiley ID 1766742