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2-(1,3-benzodioxol-5-yl)-N-(3,5-dimethoxybenzyl)-N-(4-ethoxybenzyl)ethanamine oxalate

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2-(1,3-benzodioxol-5-yl)-N-(3,5-dimethoxybenzyl)-N-(4-ethoxybenzyl)ethanamine oxalate
SpectraBase Compound ID GWGEifXASud
InChI InChI=1S/C27H31NO5.C2H2O4/c1-4-31-23-8-5-21(6-9-23)17-28(18-22-13-24(29-2)16-25(14-22)30-3)12-11-20-7-10-26-27(15-20)33-19-32-26;3-1(4)2(5)6/h5-10,13-16H,4,11-12,17-19H2,1-3H3;(H,3,4)(H,5,6)
InChIKey UPLSMONINWEOEB-UHFFFAOYSA-N
Mol Weight 539.58 g/mol
Molecular Formula C29H33NO9
Exact Mass 539.215532 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7KPspIVIEeC
Name 2-(1,3-Benzodioxol-5-yl)-N-(3,5-dimethoxybenzyl)-N-(4-ethoxybenzyl)ethanamine oxalate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 539.215531638 u
Formula C29H33NO9
InChI InChI=1S/C27H31NO5.C2H2O4/c1-4-31-23-8-5-21(6-9-23)17-28(18-22-13-24(29-2)16-25(14-22)30-3)12-11-20-7-10-26-27(15-20)33-19-32-26;3-1(4)2(5)6/h5-10,13-16H,4,11-12,17-19H2,1-3H3;(H,3,4)(H,5,6)
InChIKey UPLSMONINWEOEB-UHFFFAOYSA-N
Molecular Weight 539.581 g/mol
SMILES OC(C(O)=O)=O.C12=C(OCO2)C=CC(=C1)CCN(CC1=CC(OC)=CC(=C1)OC)CC1=CC=C(C=C1)OCC