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N-(Benzyloxycarbonyl)-6.beta.-(6'-chloro-3'-pyridyl)-8-azabicyclo[3.2.1]octane
SpectraBase Compound ID KkstPChYvi9
InChI InChI=1S/C20H21ClN2O2/c21-19-10-9-15(12-22-19)17-11-16-7-4-8-18(17)23(16)20(24)25-13-14-5-2-1-3-6-14/h1-3,5-6,9-10,12,16-18H,4,7-8,11,13H2/t16-,17+,18-/m0/s1
InChIKey YPIXJBZDSAITLC-KSZLIROESA-N
Mol Weight 356.85 g/mol
Molecular Formula C20H21ClN2O2
Exact Mass 356.129156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1pl6kC0EJb3
Name N-(Benzyloxycarbonyl)-6.beta.-(6'-chloro-3'-pyridyl)-8-azabicyclo[3.2.1]octane
Alternate Name(s) benzyl (5R,6R)-6-(6-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
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Formula C20H21ClN2O2
InChI InChI=1S/C20H21ClN2O2/c21-19-10-9-15(12-22-19)17-11-16-7-4-8-18(17)23(16)20(24)25-13-14-5-2-1-3-6-14/h1-3,5-6,9-10,12,16-18H,4,7-8,11,13H2/t16-,17+,18-/m0/s1
InChIKey YPIXJBZDSAITLC-KSZLIROESA-N
Molecular Weight 356.853 g/mol
SMILES [C@@]12(N([C@](C[C@@]2(c2cnc(cc2)Cl)[H])(CCC1)[H])C(OCc1ccccc1)=O)[H]
SPLASH splash10-0006-9010000000-beb272569028727d356d
Source of Spectrum K-2001-1048-18
Wiley ID 1578873