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2-(1,3-benzodioxol-5-yl)-N-(4-ethoxybenzyl)-N-[4-(methylsulfanyl)benzyl]ethanaminium
SpectraBase Compound ID C0nMoD5WvLV
InChI InChI=1S/C26H29NO3S/c1-3-28-23-9-4-21(5-10-23)17-27(18-22-6-11-24(31-2)12-7-22)15-14-20-8-13-25-26(16-20)30-19-29-25/h4-13,16H,3,14-15,17-19H2,1-2H3/p+1
InChIKey LSWCYRQKLGYGDA-UHFFFAOYSA-O
Mol Weight 436.59 g/mol
Molecular Formula C26H30NO3S
Exact Mass 436.19464 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JObBXyeYiel
Name 2-(1,3-benzodioxol-5-yl)-N-(4-ethoxybenzyl)-N-[4-(methylsulfanyl)benzyl]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/C26H29NO3S/c1-3-28-23-9-4-21(5-10-23)17-27(18-22-6-11-24(31-2)12-7-22)15-14-20-8-13-25-26(16-20)30-19-29-25/h4-13,16H,3,14-15,17-19H2,1-2H3/p+1
InChIKey LSWCYRQKLGYGDA-UHFFFAOYSA-O
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17148
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/9039089; UBI_ID: UBI-017151
Temperature 308 °C