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1-Methyl-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine oxalate salt

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1-Methyl-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine oxalate salt
SpectraBase Compound ID 6QhnUO4lSE7
InChI InChI=1S/C18H19N.C2H2O4/c1-19-12-10-16(11-13-19)18-9-5-8-17(14-18)15-6-3-2-4-7-15;3-1(4)2(5)6/h2-10,14H,11-13H2,1H3;(H,3,4)(H,5,6)
InChIKey JOUIQBNRZLXGCY-UHFFFAOYSA-N
Mol Weight 339.39 g/mol
Molecular Formula C20H21NO4
Exact Mass 339.147058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IfhUt1ZIYxW
Name 1-Methyl-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine oxalate salt
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.147058156 u
Formula C20H21NO4
InChI InChI=1S/C18H19N.C2H2O4/c1-19-12-10-16(11-13-19)18-9-5-8-17(14-18)15-6-3-2-4-7-15;3-1(4)2(5)6/h2-10,14H,11-13H2,1H3;(H,3,4)(H,5,6)
InChIKey JOUIQBNRZLXGCY-UHFFFAOYSA-N
Molecular Weight 339.391 g/mol
SMILES C(C(=O)O)(=O)O.C1(=CCN(C)CC1)C=1C=C(C2=CC=CC=C2)C=CC1