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

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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5VtHBI7S10O
Name 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxybenzyl)-N-(4-ethoxybenzyl)ethanamine oxalate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H31NO5.C2H2O4/c1-4-31-23-9-5-21(6-10-23)17-28(18-22-8-11-24(29-2)26(16-22)30-3)14-13-20-7-12-25-27(15-20)33-19-32-25;3-1(4)2(5)6/h5-12,15-16H,4,13-14,17-19H2,1-3H3;(H,3,4)(H,5,6)
InChIKey CYJOPTDHDHKWDV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9850
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/9059131; UBI_ID: UBI-009853
Temperature 318 °C