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

View entire compound with spectra: 1 MS (GC)

2-Endo-Nitro-3-exo-(2'-chloro-5'-pyridyl)-7-benzyl-7-azabicyclo[2.2.1]heptane
SpectraBase Compound ID KRWFgnqciGV
InChI InChI=1S/C18H18ClN3O2/c19-16-9-6-13(10-20-16)17-14-7-8-15(18(17)22(23)24)21(14)11-12-4-2-1-3-5-12/h1-6,9-10,14-15,17-18H,7-8,11H2/t14-,15+,17-,18-/m1/s1
InChIKey MCYUXYLYXIMAJU-CYGHRXIMSA-N
Mol Weight 343.81 g/mol
Molecular Formula C18H18ClN3O2
Exact Mass 343.108755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CgWJLRqv7Kq
Name 2-Endo-Nitro-3-exo-(2'-chloro-5'-pyridyl)-7-benzyl-7-azabicyclo[2.2.1]heptane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18ClN3O2
InChI InChI=1S/C18H18ClN3O2/c19-16-9-6-13(10-20-16)17-14-7-8-15(18(17)22(23)24)21(14)11-12-4-2-1-3-5-12/h1-6,9-10,14-15,17-18H,7-8,11H2/t14-,15+,17-,18-/m1/s1
InChIKey MCYUXYLYXIMAJU-CYGHRXIMSA-N
Literature Reference DOI 10.1002_(SICI)1521-3897(199907)341_5_455
Molecular Weight 343.814 g/mol
SMILES C1C[C@@]2([C@]([C@@]([C@@]1([H])N2Cc1ccccc1)([N+](=O)[O-])[H])(c1cnc(cc1)Cl)[H])[H]
SPLASH splash10-0007-9180000000-e7112119cd1e0f8e608a
Source of Spectrum JF-341-459-4c
Synonyms (1R,2R,3S,4R)-7-benzyl-2-(6-chloropyridin-3-yl)-3-nitro-7-azabicyclo[2.2.1]heptane
Wiley ID 1766743