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

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2-(1,3-benzodioxol-5-yl)-N-(4-ethoxybenzyl)-N-(3-fluorobenzyl)ethanaminium
SpectraBase Compound ID EkgHAU1izbX
InChI InChI=1S/C25H26FNO3/c1-2-28-23-9-6-20(7-10-23)16-27(17-21-4-3-5-22(26)14-21)13-12-19-8-11-24-25(15-19)30-18-29-24/h3-11,14-15H,2,12-13,16-18H2,1H3/p+1
InChIKey OVOQXQUCCYJNSF-UHFFFAOYSA-O
Mol Weight 408.49 g/mol
Molecular Formula C25H27FNO3
Exact Mass 408.197497 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HAp1WbXCkGq
Name 2-(1,3-benzodioxol-5-yl)-N-(4-ethoxybenzyl)-N-(3-fluorobenzyl)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/C25H26FNO3/c1-2-28-23-9-6-20(7-10-23)16-27(17-21-4-3-5-22(26)14-21)13-12-19-8-11-24-25(15-19)30-18-29-24/h3-11,14-15H,2,12-13,16-18H2,1H3/p+1
InChIKey OVOQXQUCCYJNSF-UHFFFAOYSA-O
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17154
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/9039795; UBI_ID: UBI-017157
Temperature 318 °C