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nicotinic acid [(1R,4R,7R)-3-methyl-3-azabicyclo[2.2.2]octan-7-yl] ester
SpectraBase Compound ID EBVAndaUnWr
InChI InChI=1S/C14H18N2O2/c1-16-9-11-4-5-12(16)7-13(11)18-14(17)10-3-2-6-15-8-10/h2-3,6,8,11-13H,4-5,7,9H2,1H3/t11-,12-,13-/m1/s1
InChIKey ZEHTUXNIZHWDCX-JHJVBQTASA-N
Mol Weight 246.31 g/mol
Molecular Formula C14H18N2O2
Exact Mass 246.136828 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ZwPbMTElGS
Name nicotinic acid [(1R,4R,7R)-3-methyl-3-azabicyclo[2.2.2]octan-7-yl] ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H18N2O2
InChI InChI=1S/C14H18N2O2/c1-16-9-11-4-5-12(16)7-13(11)18-14(17)10-3-2-6-15-8-10/h2-3,6,8,11-13H,4-5,7,9H2,1H3/t11-,12-,13-/m1/s1
InChIKey ZEHTUXNIZHWDCX-JHJVBQTASA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 246.309 g/mol
Source File Reference MHKO11284