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1-(2-Methoxybenzyl)-4-(4-methylbenzyl)piperazine oxalate

View entire compound with spectra: 2 NMR

1-(2-Methoxybenzyl)-4-(4-methylbenzyl)piperazine oxalate
SpectraBase Compound ID JIFg2kCBhgo
InChI InChI=1S/C20H26N2O.C2H2O4/c1-17-7-9-18(10-8-17)15-21-11-13-22(14-12-21)16-19-5-3-4-6-20(19)23-2;3-1(4)2(5)6/h3-10H,11-16H2,1-2H3;(H,3,4)(H,5,6)
InChIKey TVPPGJCWUZVIHO-UHFFFAOYSA-N
Mol Weight 400.48 g/mol
Molecular Formula C22H28N2O5
Exact Mass 400.199822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7OdPYhHRLgW
Name 1-(2-Methoxybenzyl)-4-(4-methylbenzyl)piperazine oxalate
Comments Computed using HOSE algorithm
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Exact Mass 400.199822005 u
Formula C22H28N2O5
InChI InChI=1S/C20H26N2O.C2H2O4/c1-17-7-9-18(10-8-17)15-21-11-13-22(14-12-21)16-19-5-3-4-6-20(19)23-2;3-1(4)2(5)6/h3-10H,11-16H2,1-2H3;(H,3,4)(H,5,6)
InChIKey TVPPGJCWUZVIHO-UHFFFAOYSA-N
SMILES OC(C(O)=O)=O.C1=CC=C(CN2CCN(CC2)CC=2C=CC(=CC2)C)C(OC)=C1