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1-(3,5-Dimethoxybenzyl)-4-[4-(trifluoromethyl)benzyl]piperazine oxalate

View entire compound with spectra: 2 NMR

1-(3,5-Dimethoxybenzyl)-4-[4-(trifluoromethyl)benzyl]piperazine oxalate
SpectraBase Compound ID C1ZM5J2CYNy
InChI InChI=1S/C21H25F3N2O2.C2H2O4/c1-27-19-11-17(12-20(13-19)28-2)15-26-9-7-25(8-10-26)14-16-3-5-18(6-4-16)21(22,23)24;3-1(4)2(5)6/h3-6,11-13H,7-10,14-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKey SAHAEJACWUYGOB-UHFFFAOYSA-N
Mol Weight 484.47 g/mol
Molecular Formula C23H27F3N2O6
Exact Mass 484.182121 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KOa2v7unvH8
Name 1-(3,5-Dimethoxybenzyl)-4-[4-(trifluoromethyl)benzyl]piperazine oxalate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 484.182121080 u
Formula C23H27F3N2O6
InChI InChI=1S/C21H25F3N2O2.C2H2O4/c1-27-19-11-17(12-20(13-19)28-2)15-26-9-7-25(8-10-26)14-16-3-5-18(6-4-16)21(22,23)24;3-1(4)2(5)6/h3-6,11-13H,7-10,14-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKey SAHAEJACWUYGOB-UHFFFAOYSA-N
Molecular Weight 484.472 g/mol
SMILES OC(C(O)=O)=O.C(C=1C=CC(CN2CCN(CC2)CC=2C=C(C=C(C2)OC)OC)=CC1)(F)(F)F