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1-(3-Bromobenzyl)-4-(3,4-dimethoxybenzyl)piperazine oxalate

View entire compound with spectra: 2 NMR

1-(3-Bromobenzyl)-4-(3,4-dimethoxybenzyl)piperazine oxalate
SpectraBase Compound ID 1geiMyfLokM
InChI InChI=1S/C20H25BrN2O2.C2H2O4/c1-24-19-7-6-17(13-20(19)25-2)15-23-10-8-22(9-11-23)14-16-4-3-5-18(21)12-16;3-1(4)2(5)6/h3-7,12-13H,8-11,14-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKey VLRJWXFNDJMYQV-UHFFFAOYSA-N
Mol Weight 495.37 g/mol
Molecular Formula C22H27BrN2O6
Exact Mass 494.10525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CZgGCzdjJOC
Name 1-(3-Bromobenzyl)-4-(3,4-dimethoxybenzyl)piperazine oxalate
Comments Computed using HOSE algorithm
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Exact Mass 494.105249591 u
Formula C22H27BrN2O6
InChI InChI=1S/C20H25BrN2O2.C2H2O4/c1-24-19-7-6-17(13-20(19)25-2)15-23-10-8-22(9-11-23)14-16-4-3-5-18(21)12-16;3-1(4)2(5)6/h3-7,12-13H,8-11,14-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKey VLRJWXFNDJMYQV-UHFFFAOYSA-N
Molecular Weight 495.370 g/mol
SMILES OC(C(O)=O)=O.COC1=CC=C(C=C1OC)CN1CCN(CC1)CC=1C=C(Br)C=CC1