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3-(1-METHYL-1,2,5,6-TETRAHYDROPYRIDIN-3-YL)-4,5,6,6A-TETRAHYDRO-3AH-CYCLOPENTA-[D]-ISOXAZOLE-OXALATE
SpectraBase Compound ID DtKf8vMwUF8
InChI InChI=1S/C12H18N2O.C2H2O4/c1-14-7-3-4-9(8-14)12-10-5-2-6-11(10)15-13-12;3-1(4)2(5)6/h4,10-11H,2-3,5-8H2,1H3;(H,3,4)(H,5,6)
InChIKey IDUKEHCACCDDOA-UHFFFAOYSA-N
Mol Weight 296.32 g/mol
Molecular Formula C14H20N2O5
Exact Mass 296.137222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FGfBrRsJlS6
Name 3-(1-METHYL-1,2,5,6-TETRAHYDROPYRIDIN-3-YL)-4,5,6,6A-TETRAHYDRO-3AH-CYCLOPENTA-[D]-ISOXAZOLE-OXALATE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H20N2O5
InChI InChI=1S/C12H18N2O.C2H2O4/c1-14-7-3-4-9(8-14)12-10-5-2-6-11(10)15-13-12;3-1(4)2(5)6/h4,10-11H,2-3,5-8H2,1H3;(H,3,4)(H,5,6)
InChIKey IDUKEHCACCDDOA-UHFFFAOYSA-N
Literature Reference Author M.AHN,J.M.PARK,I.Y.C.LEE,M.H.JUNG
Literature Reference Citation J.HETCYCL.CHEM.,40,957(2003)
Literature Reference DOI 10.1002/jhet.5570400602
Molecular Weight 296.323 g/mol
Solvent CD3OD
Source File Reference UWMS22881