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

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2-(1,3-benzodioxol-5-yl)-N-(2,5-dimethoxybenzyl)-N-(4-ethoxybenzyl)ethanaminium
SpectraBase Compound ID EsjE9ygXYcM
InChI InChI=1S/C27H31NO5/c1-4-31-23-8-5-21(6-9-23)17-28(18-22-16-24(29-2)10-12-25(22)30-3)14-13-20-7-11-26-27(15-20)33-19-32-26/h5-12,15-16H,4,13-14,17-19H2,1-3H3/p+1
InChIKey QJSBFADNJBPBQO-UHFFFAOYSA-O
Mol Weight 450.6 g/mol
Molecular Formula C27H32NO5
Exact Mass 450.228048 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9197W205Sqa
Name 2-(1,3-benzodioxol-5-yl)-N-(2,5-dimethoxybenzyl)-N-(4-ethoxybenzyl)ethanaminium
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/c1-4-31-23-8-5-21(6-9-23)17-28(18-22-16-24(29-2)10-12-25(22)30-3)14-13-20-7-11-26-27(15-20)33-19-32-26/h5-12,15-16H,4,13-14,17-19H2,1-3H3/p+1
InChIKey QJSBFADNJBPBQO-UHFFFAOYSA-O
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17138
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/9037536; UBI_ID: UBI-017141
Temperature 308 °C