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

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2-(1,3-benzodioxol-5-yl)-N-(2-ethoxybenzyl)-N-(1-naphthylmethyl)ethanaminium
SpectraBase Compound ID DO4A3sC9ssR
InChI InChI=1S/C29H29NO3/c1-2-31-27-13-6-4-9-25(27)20-30(17-16-22-14-15-28-29(18-22)33-21-32-28)19-24-11-7-10-23-8-3-5-12-26(23)24/h3-15,18H,2,16-17,19-21H2,1H3/p+1
InChIKey CZQIHYHPNTUNNC-UHFFFAOYSA-O
Mol Weight 440.56 g/mol
Molecular Formula C29H30NO3
Exact Mass 440.222569 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7TZC93MKGpX
Name 2-(1,3-benzodioxol-5-yl)-N-(2-ethoxybenzyl)-N-(1-naphthylmethyl)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/C29H29NO3/c1-2-31-27-13-6-4-9-25(27)20-30(17-16-22-14-15-28-29(18-22)33-21-32-28)19-24-11-7-10-23-8-3-5-12-26(23)24/h3-15,18H,2,16-17,19-21H2,1H3/p+1
InChIKey CZQIHYHPNTUNNC-UHFFFAOYSA-O
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13689
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/9311394; UBI_ID: UBI-013692
Temperature 308 °C