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

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1-Methyl-4-(2-phenylphenyl)-1,2,3,6-tetrahydropyridine oxalate salt
SpectraBase Compound ID EVmSWnOdTWx
InChI InChI=1S/C18H19N.C2H2O4/c1-19-13-11-16(12-14-19)18-10-6-5-9-17(18)15-7-3-2-4-8-15;3-1(4)2(5)6/h2-11H,12-14H2,1H3;(H,3,4)(H,5,6)
InChIKey HAVHJVIWLNCSFY-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 JNemIX4ZcyM
Name 1-Methyl-4-(2-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/c1-19-13-11-16(12-14-19)18-10-6-5-9-17(18)15-7-3-2-4-8-15;3-1(4)2(5)6/h2-11H,12-14H2,1H3;(H,3,4)(H,5,6)
InChIKey HAVHJVIWLNCSFY-UHFFFAOYSA-N
Molecular Weight 339.391 g/mol
SMILES C(C(=O)O)(=O)O.C=1(C2=CCN(C)CC2)C(C2=CC=CC=C2)=CC=CC1