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4-(p-Chlorophenyl)-4-[2-(hexamethyleneimino)ethoxy]-1-phenethylpiperidine, dioxalate

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4-(p-Chlorophenyl)-4-[2-(hexamethyleneimino)ethoxy]-1-phenethylpiperidine, dioxalate
SpectraBase Compound ID 3TZtTTcMkDb
InChI InChI=1S/C27H37ClN2O.2C2H2O4/c28-26-12-10-25(11-13-26)27(31-23-22-29-17-6-1-2-7-18-29)15-20-30(21-16-27)19-14-24-8-4-3-5-9-24;2*3-1(4)2(5)6/h3-5,8-13H,1-2,6-7,14-23H2;2*(H,3,4)(H,5,6)
InChIKey CTKKRFJXGFSGAU-UHFFFAOYSA-N
Mol Weight 621.13 g/mol
Molecular Formula C31H41ClN2O9
Exact Mass 620.250059 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KDUHYmd42s2
Name 4-(p-Chlorophenyl)-4-[2-(hexamethyleneimino)ethoxy]-1-phenethylpiperidine, dioxalate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 620.250058599 u
Formula C31H41ClN2O9
InChI InChI=1S/C27H37ClN2O.2C2H2O4/c28-26-12-10-25(11-13-26)27(31-23-22-29-17-6-1-2-7-18-29)15-20-30(21-16-27)19-14-24-8-4-3-5-9-24;2*3-1(4)2(5)6/h3-5,8-13H,1-2,6-7,14-23H2;2*(H,3,4)(H,5,6)
InChIKey CTKKRFJXGFSGAU-UHFFFAOYSA-N
Molecular Weight 621.127 g/mol
SMILES C1CC(CCN1CCC=1C=CC=CC1)(C1=CC=C(C=C1)Cl)OCCN1CCCCCC1.OC(C(=O)O)=O.OC(C(=O)O)=O