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1-(2,4-Dimethoxybenzyl)-4-(4-methoxybenzyl)piperazine oxalate

View entire compound with spectra: 2 NMR

1-(2,4-Dimethoxybenzyl)-4-(4-methoxybenzyl)piperazine oxalate
SpectraBase Compound ID CwaR3gCm6UL
InChI InChI=1S/C21H28N2O3.C2H2O4/c1-24-19-7-4-17(5-8-19)15-22-10-12-23(13-11-22)16-18-6-9-20(25-2)14-21(18)26-3;3-1(4)2(5)6/h4-9,14H,10-13,15-16H2,1-3H3;(H,3,4)(H,5,6)
InChIKey YRQRBQHNDPEHAD-UHFFFAOYSA-N
Mol Weight 446.5 g/mol
Molecular Formula C23H30N2O7
Exact Mass 446.205301 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6UNSr77789J
Name 1-(2,4-Dimethoxybenzyl)-4-(4-methoxybenzyl)piperazine oxalate
Comments Computed using HOSE algorithm
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Exact Mass 446.205301307 u
Formula C23H30N2O7
InChI InChI=1S/C21H28N2O3.C2H2O4/c1-24-19-7-4-17(5-8-19)15-22-10-12-23(13-11-22)16-18-6-9-20(25-2)14-21(18)26-3;3-1(4)2(5)6/h4-9,14H,10-13,15-16H2,1-3H3;(H,3,4)(H,5,6)
InChIKey YRQRBQHNDPEHAD-UHFFFAOYSA-N
Molecular Weight 446.500 g/mol
SMILES OC(C(O)=O)=O.C=1(C(=CC(=CC1)OC)OC)CN1CCN(CC1)CC=1C=CC(OC)=CC1