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Pyridine-3-carboxylic acid, 5-bromo-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
SpectraBase Compound ID KpAP6qNodne
InChI InChI=1S/C14H17BrN2O2/c1-17-11-2-3-12(17)6-13(5-11)19-14(18)9-4-10(15)8-16-7-9/h4,7-8,11-13H,2-3,5-6H2,1H3/t11-,12+,13?
InChIKey XZLKQWWMJLSYRM-FUNVUKJBSA-N
Mol Weight 325.21 g/mol
Molecular Formula C14H17BrN2O2
Exact Mass 324.047341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3q0tFfWsYI
Name Pyridine-3-carboxylic acid, 5-bromo-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
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Formula C14H17BrN2O2
InChI InChI=1S/C14H17BrN2O2/c1-17-11-2-3-12(17)6-13(5-11)19-14(18)9-4-10(15)8-16-7-9/h4,7-8,11-13H,2-3,5-6H2,1H3/t11-,12+,13?
InChIKey XZLKQWWMJLSYRM-FUNVUKJBSA-N
Molecular Weight 325.206 g/mol
SMILES c1ncc(C(OC2C[C@]3(N([C@@](C2)(CC3)[H])C)[H])=O)cc1Br
SPLASH splash10-007o-9300000000-99c25b4a6c5a8c86df25
Source of Spectrum AD-0-2532-0
Synonyms (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-bromanylpyridine-3-carboxylate (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-bromopyridine-3-carboxylate 5-Bromo-3-pyridinecarboxylic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester 5-Bromonicotinic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 5-bromonicotinate
Wiley ID 1420224