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3-(1,3-benzodioxol-5-yl)-N-(4-chlorobenzyl)-3-(2-methoxyphenyl)-1-propanaminium chloride

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3-(1,3-benzodioxol-5-yl)-N-(4-chlorobenzyl)-3-(2-methoxyphenyl)-1-propanaminium chloride
SpectraBase Compound ID 9f59NyekqXe
InChI InChI=1S/C24H24ClNO3.ClH/c1-27-22-5-3-2-4-21(22)20(18-8-11-23-24(14-18)29-16-28-23)12-13-26-15-17-6-9-19(25)10-7-17;/h2-11,14,20,26H,12-13,15-16H2,1H3;1H
InChIKey AWISPBFCIYFUNU-UHFFFAOYSA-N
Mol Weight 446.37 g/mol
Molecular Formula C24H25Cl2NO3
Exact Mass 445.121149 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CilzSLSR5ZH
Name 3-(1,3-benzodioxol-5-yl)-N-(4-chlorobenzyl)-3-(2-methoxyphenyl)-1-propanaminium chloride
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.121149066 u
Formula C24H25Cl2NO3
InChI InChI=1S/C24H24ClNO3.ClH/c1-27-22-5-3-2-4-21(22)20(18-8-11-23-24(14-18)29-16-28-23)12-13-26-15-17-6-9-19(25)10-7-17;/h2-11,14,20,26H,12-13,15-16H2,1H3;1H
InChIKey AWISPBFCIYFUNU-UHFFFAOYSA-N
Molecular Weight 446.374 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_2117
Solvent DMSO-d6
Source Vendor ID: NMR/12278943