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1-(METHOXYCARBONYL-D2-METHYL)-PYRIDINIUM-2-(BETA-METHYLPROPIONATE)
SpectraBase Compound ID 7T1is69IGaI
InChI InChI=1S/C12H15NO4/c1-9(7-11(14)15)10-5-3-4-6-13(10)8-12(16)17-2/h3-6,9H,7-8H2,1-2H3/i8D2
InChIKey JGIAXBAOFLJXFF-MGVXTIMCSA-N
Mol Weight 239.27 g/mol
Molecular Formula C12H132H2NO4
Exact Mass 239.112661 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2NEB8W1tAHl
Name 1-(METHOXYCARBONYL-D2-METHYL)-PYRIDINIUM-2-(BETA-METHYLPROPIONATE)
Compound Number 13A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H132H2NO4
InChI InChI=1S/C12H15NO4/c1-9(7-11(14)15)10-5-3-4-6-13(10)8-12(16)17-2/h3-6,9H,7-8H2,1-2H3/i8D2
InChIKey JGIAXBAOFLJXFF-MGVXTIMCSA-N
Literature Reference Author E.I.KOSTIK,A.ABIKO,A.OKU
Literature Reference Citation J.ORG.CHEM.,66,2618(2001)
Literature Reference DOI 10.1021/jo0011639
Molecular Weight 239.268 g/mol
Solvent D2O
Source File Reference UWLU26604